Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
fo-1b56c999842769e5
Identity
- Type
- Neutral molecule
- CAS
- 2082-79-3
- EC
- 218-216-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
64- 2,6-Di-tert-butyl-4-(octadecanoxycarbonylethyl)phenol
- 2,6-Di-tert-butyl-4-[(2-octadecyloxycarbonyl)ethyl]phenol
- 2,6-Di-tert-butyl-4-[[(octadecyloxy)carbonyl]ethyl]phenol
- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester
- 3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid octadecyl ester
- 3-(3,5-Di-tert-butyl-4-hydroxyphenol)propionic acid octadecyl ester
- 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester
- 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid stearyl ester
- 4-Carboxyethyl)-2,6-di-tert-butyl-1-hydroxybenzene stearyl ester
- Adeka Stab AO 50
- ADK Stab AO 50
- Anox PP 18
- Arenox A 76
- Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
- Chemnox B 201
- Dovernox 76
- GUARD DOG 1076
- Hostanox M 016
- Hostanox O 16
- Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, octadecyl ester
- Irganox 1076DWJ
- Irganox I 1076
- Irganox L 107
- Irgastab PVC 76
- Mark AO 50
- n-Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
- n-Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- n-Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
- n-Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- n-Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
- n-Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
- Naugard 76
- Octadecanyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Octadecyl 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylpropanoate
- Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
- Octadecyl 3,5-di-tert-butyl-4-hydroxyphenylpropionate
- Octadecyl 3,5-di-tert-butyl-4-oxyphenylpropionate
- Octadecyl 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)propionate
- Octadecyl 3-(3,5-bis-tert-butyl-4-hydroxyphenyl)propanoate
- Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
- Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
- Octadecyl 3-(3′,5′-di-tert-butyl-4-hydroxyphenyl) propionate
- Octadecyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
- Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
- Octadecyl 3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzene]propionate
- Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Octadecyl β-(3,5-tert-butyl-4-hydroxyphenyl)propionate
- Octadecyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
- Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
- Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propenoate
- Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
- Selosol F 773
- Stearyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Stearyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
- Stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Stearyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
- Sumilizer BP 76
- Tinogard TS
- Tominokusu SS
- Tominox SS
- β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid n-octadecyl ester
- β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid n-octadecyl alcohol ester
- β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester
- β-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid n-octadecyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SSDSCDGVMJFTEQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3 |
| IUPAC name chemrof:IUPAC_name | Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate |
| Molecular formula chemrof:molecular_formula | C35H62O3 |
| Molecular mass chemrof:molecular_mass | 530.878 |
| Monoisotopic mass chemrof:monoisotopic_mass | 530.469896 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2082-79-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.560 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027456 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V88J661G2P | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.231H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16386 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27291662 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Octadecyl_3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ca91e703-7e45-4789-ac96-cb6c82544473 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 217548ce-1818-4911-8797-b724c537868e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 22b27c0f-29ef-4b03-a73a-56a6400e3e5b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 71e911af-1438-4fe0-b480-4ceccb2471fb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b54b2598-a495-436a-8a7a-0e3827c39273 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| b1b1af0a-ca23-43ee-baff-59f931bb9e19 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 39f152b5-63e4-44fc-ba0f-bb8b6f0014f6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 30be4c9b-51c5-4fd1-be9a-72e1e7000c4a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 528e218c-f8ea-4b78-87f5-adfd9197df94 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 51594445-f027-4536-9836-a447126ca253 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4781705b-2a15-4306-87bd-e78693a6ccec | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3653bfe4-55e8-4381-9e22-7de986eca095 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7b7ab117-b741-42a0-bd23-4de3605b701c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-1b56c999842769e5",
"prefLabel": [
{
"@value": "Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2,6-Di-tert-butyl-4-(octadecanoxycarbonylethyl)phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,6-Di-tert-butyl-4-[(2-octadecyloxycarbonyl)ethyl]phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,6-Di-tert-butyl-4-[[(octadecyloxy)carbonyl]ethyl]phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(3,5-Di-tert-butyl-4-hydroxyphenol)propionic acid octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid stearyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Carboxyethyl)-2,6-di-tert-butyl-1-hydroxybenzene stearyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adeka Stab AO 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADK Stab AO 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anox PP 18",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Arenox A 76",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chemnox B 201",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dovernox 76",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "GUARD DOG 1076",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hostanox M 016",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hostanox O 16",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irganox 1076DWJ",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irganox I 1076",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irganox L 107",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgastab PVC 76",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mark AO 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Naugard 76",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecanyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylpropanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3,5-di-tert-butyl-4-hydroxyphenylpropionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3,5-di-tert-butyl-4-oxyphenylpropionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(3,5-bis-tert-butyl-4-hydroxyphenyl)propanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(3′,5′-di-tert-butyl-4-hydroxyphenyl) propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl 3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzene]propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl β-(3,5-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propenoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Selosol F 773",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stearyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stearyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stearyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sumilizer BP 76",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinogard TS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tominokusu SS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tominox SS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid n-octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid n-octadecyl alcohol ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid n-octadecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2082-79-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C35H62O3"
],
"attested_by": {
"C35H62O3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SSDSCDGVMJFTEQ-UHFFFAOYSA-N"
],
"attested_by": {
"SSDSCDGVMJFTEQ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
],
"attested_by": {
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
],
"attested_by": {
"InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"
]
},
"attested_by": {
"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
530.878
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
],
"attested_by": {
"530.878": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
530.469896
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
],
"attested_by": {
"530.469896": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.231H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.016.560",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2082-79-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2082-79-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8027456",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Octadecyl_3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V88J661G2P",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16386",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2082-79-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291662",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16386;CAS:2082-79-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2082-79-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "217548ce-1818-4911-8797-b724c537868e",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2082-79-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2082-79-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"218-216-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=218-216-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works