2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate
fo-3948de8182ff0102
Identity
- Type
- Neutral molecule
- CAS
- 42978-66-5
- EC
- 256-032-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
35- (1-Methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] diacrylate
- 2-Propenoic acid, (1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] ester
- 2-Propenoic acid, 1,1′-[(1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)]] ester
- 310HP
- AgiSyn 2815
- Aronix M 220
- Chemlink 51
- Doublemer TPGDA
- Ebecryl TPGDA
- Ebecryl TRPGDA-DEO
- EM 223TF
- Etermer EM 223
- Etermer EM 233
- EvergGlide UV 636
- Everglide UV 636
- GM 62A00
- Kayarad TPGDA
- KS-TPGDA
- Laromer TPGDA
- Miramer M 220
- NK Ester APG 200
- Sartomer 306HP
- Sartomer SR 306
- Setacure AM 553
- SR 306HP
- SR 306NS
- TPGDA
- Tri(propene oxide) dipropenoate
- Tripropylene glycol diacrylate
- TRPGDA
- Ultraglide UV 701
- V 310HP
- Viscoat 30HP
- Viscoat 310HG
- Viscoat 310HP
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FGUBBDWZXGVAQJ-UHFFFAOYSA-N, LJRSZGKUUZPHEB-UHFFFAOYSA-N, MDFKMDXDHXTDSR-OHADQASTSA-L, ZDQNWDNMNKSMHI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3 |
| IUPAC name chemrof:IUPAC_name | 2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate |
| Molecular formula chemrof:molecular_formula | C15H24O6, C15H26O10-2, C15H28O8 |
| SMILES string chemrof:smiles_string | C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C |
Known URLs
17Where 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=42978-66-5 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=71412-35-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.050.921 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID30991775 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID601388261 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2145379 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2O70KL79K2 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VFM08CHC4D | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.591B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J446.802C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4128060 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/53249554 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91884780 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/93414 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1807444 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27255205 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27291809 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d1dc2615-eab0-4ae9-b925-ca2b4f37b02c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 00b743f2-4504-4bcb-af98-913641d92306 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9c92e26d-6de9-4389-af44-3b758b1b2111 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 157969e6-1660-4957-b6a5-c35d905872da | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3b3d0f5d-3eb6-4a50-80ec-b950b10e8061 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5e4dfba4-99ba-4c83-9f74-85cdefd49b5a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ca13a44a-70fe-4cd9-b2f9-84f8cfea03a7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e32df356-8ca1-4236-85f1-aa8b550dfe82 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 841ac23e-4ed7-4bdb-865c-298ac1f8a76b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| dec1012c-ab08-449d-8268-14c16b044af9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 006d2ab5-de57-4394-95b6-3024d678f7af | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bfdb0ff5-0688-4004-bc35-387603f2e194 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d64aa8d8-1e1c-4d8b-a75a-8a29d0341d4c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-3948de8182ff0102",
"prefLabel": [
{
"@value": "2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate",
"@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": "(1-Methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] diacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, (1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, 1,1′-[(1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)]] ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "310HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AgiSyn 2815",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aronix M 220",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chemlink 51",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Doublemer TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ebecryl TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ebecryl TRPGDA-DEO",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EM 223TF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Etermer EM 223",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Etermer EM 233",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EvergGlide UV 636",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Everglide UV 636",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "GM 62A00",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayarad TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "KS-TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Laromer TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Miramer M 220",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester APG 200",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer 306HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 306",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Setacure AM 553",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 306HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 306NS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tri(propene oxide) dipropenoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tripropylene glycol diacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TRPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ultraglide UV 701",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "V 310HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Viscoat 30HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Viscoat 310HG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Viscoat 310HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42978-66-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H24O6",
"C15H26O10-2",
"C15H28O8"
],
"attested_by": {
"C15H24O6": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C15H26O10-2": [
"enrich_references.pubchem_semantic"
],
"C15H28O8": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414",
"CID:4128060",
"CID:53249554",
"CID:91884780"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FGUBBDWZXGVAQJ-UHFFFAOYSA-N",
"LJRSZGKUUZPHEB-UHFFFAOYSA-N",
"MDFKMDXDHXTDSR-OHADQASTSA-L",
"ZDQNWDNMNKSMHI-UHFFFAOYSA-N"
],
"attested_by": {
"FGUBBDWZXGVAQJ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"LJRSZGKUUZPHEB-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"MDFKMDXDHXTDSR-OHADQASTSA-L": [
"enrich_references.pubchem_semantic"
],
"ZDQNWDNMNKSMHI-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414",
"CID:4128060",
"CID:53249554",
"CID:91884780"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C"
]
}
],
"attested_by": {
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C"
]
}
],
"attested_by": {
"InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate"
]
},
"attested_by": {
"2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl Acrylate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.591B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J446.802C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.050.921",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=42978-66-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"42978-66-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=71412-35-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID30991775",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID601388261",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2O70KL79K2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VFM08CHC4D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4128060",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42978-66-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53249554",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:53249554;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42978-66-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/91884780",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91884780;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42978-66-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/93414",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42978-66-5]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1807444",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2145379",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27255205",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93414;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291809",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4128060;CAS:42978-66-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42978-66-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "006d2ab5-de57-4394-95b6-3024d678f7af",
"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": [
"42978-66-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=42978-66-5"
}
],
"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": [
"256-032-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=256-032-2"
],
"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