2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol
fo-75a050023f000f35
Identity
- Type
- Neutral molecule
- CAS
- 25973-55-1
- EC
- 247-384-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
26- 2-(2-Hydroxy-3,5-di-tert-amylphenyl)-2H-benzotriazole
- 2-(2-Hydroxy-3,5-di-tert-amylphenyl)benzotriazole
- 2-(2-Hydroxy-3,5-di-tert-pentylphenyl)benzotriazole
- 2-(2H-Benzotriazol-2-yl)-4,6-di-tert-amylphenol
- 2-(2H-Benzotriazol-2-yl)-4,6-di-tert-pentylphenol
- 2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol
- 2-(2′-Hydroxy-3′,5′-di-tert-amylphenyl)-2H-benzotriazole
- 2-(2′-Hydroxy-3′,5′-di-tert-amylphenyl)benzotriazole
- 2-(2′-Hydroxy-3′,5′-tert-amylphenyl)benzotriazole
- 2-(3,5-Di-tert-amyl-2-hydroxyphenyl)-2H-benzotriazole
- 2-(3,5-Di-tert-amyl-2-hydroxyphenyl)benzotriazole
- 2-(3,5-Di-tert-pentyl-2-hydroxyphenyl)-2H-benzotriazole
- 2-(3,5-Di-tert-pentyl-2-hydroxyphenyl)benzotriazole
- 2-(3′,5′-Di-tert-amyl-2′-hydroxyphenyl)benzotriazole
- 2-(Benzotriazol-2-yl)-4,6-bis-(1,1-dimethyl-propyl)phenol
- 2-(Benzotriazol-2-yl)-4,6-bis-(2-methylbutan-2-yl)phenol
- 2-[2-Hydroxy-3,5-bis(1,1-dimethylpropyl)phenyl]-2H-benzotriazole
- BLS 99-2
- Cyasorb UV 2337
- Eversorb 74
- Kemisorb 74
- Lowilite 28
- Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-
- Phenol, 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl-
- Tinuvin PA 238
- Tinuvin PA 328
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZMWRRFHBXARRRT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol |
| Molecular formula chemrof:molecular_formula | C22H29N3O |
| Molecular mass chemrof:molecular_mass | 351.494 |
| Monoisotopic mass chemrof:monoisotopic_mass | 351.231063 |
| SMILES string chemrof:smiles_string | CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1 |
Known URLs
10Where 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=25973-55-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.062 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2027886 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1879803 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VN99CPK4TI | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245706 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J256.566H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/33263 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27291918 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/UV-328 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 62de80cf-c7dc-4e99-9fce-a5e9a5bcda1a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b7141156-2452-41ee-88b9-66c54b8105c2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 6f81e2b0-4454-4f5d-87eb-997c7f8d129b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d856db5f-a507-45c6-8208-f518cfe86dec | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a0b3ecd3-68d1-4627-9e5d-495a5118ea81 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3f2cee98-cb46-4282-8595-6dfc3d890cc4 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 11d1c0a3-dfc5-4d1c-8ecf-8b6318ede872 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2a30391b-9444-479b-94b5-b229e22754c8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 51b8972a-835e-442a-b36e-bee31d66992f | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d21a0f63-fbeb-4aa2-8e9e-84ab6e42bd5d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8b5c4d5e-e990-4bec-ae75-c5b043e74afb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b8bd97da-8129-4c15-a038-0d9fd39f3cde | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 968c655a-ba5c-47af-98a5-699588037e40 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-75a050023f000f35",
"prefLabel": [
{
"@value": "2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol",
"@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-(2-Hydroxy-3,5-di-tert-amylphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxy-3,5-di-tert-amylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxy-3,5-di-tert-pentylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2H-Benzotriazol-2-yl)-4,6-di-tert-amylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2H-Benzotriazol-2-yl)-4,6-di-tert-pentylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2′-Hydroxy-3′,5′-di-tert-amylphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2′-Hydroxy-3′,5′-di-tert-amylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2′-Hydroxy-3′,5′-tert-amylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(3,5-Di-tert-amyl-2-hydroxyphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(3,5-Di-tert-amyl-2-hydroxyphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(3,5-Di-tert-pentyl-2-hydroxyphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(3,5-Di-tert-pentyl-2-hydroxyphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(3′,5′-Di-tert-amyl-2′-hydroxyphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Benzotriazol-2-yl)-4,6-bis-(1,1-dimethyl-propyl)phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Benzotriazol-2-yl)-4,6-bis-(2-methylbutan-2-yl)phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[2-Hydroxy-3,5-bis(1,1-dimethylpropyl)phenyl]-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "BLS 99-2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyasorb UV 2337",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eversorb 74",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kemisorb 74",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lowilite 28",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinuvin PA 238",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinuvin PA 328",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25973-55-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C22H29N3O"
],
"attested_by": {
"C22H29N3O": [
"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:33263"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZMWRRFHBXARRRT-UHFFFAOYSA-N"
],
"attested_by": {
"ZMWRRFHBXARRRT-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:33263"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
],
"attested_by": {
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)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/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
],
"attested_by": {
"InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol"
]
},
"attested_by": {
"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
351.494
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
],
"attested_by": {
"351.494": [
"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": [
351.231063
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1"
]
}
],
"attested_by": {
"351.231063": [
"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=J256.566H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.043.062",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25973-55-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"25973-55-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2027886",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/UV-328",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VN99CPK4TI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0245706",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/33263",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25973-55-1]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1879803",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291918",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33263;CAS:25973-55-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25973-55-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "11d1c0a3-dfc5-4d1c-8ecf-8b6318ede872",
"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": [
"25973-55-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25973-55-1"
}
],
"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": [
"247-384-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=247-384-8"
],
"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