2-hydroxy-2-methyl-1-phenylpropan-1-one
fo-911926ea049d0a7b
Identity
- Type
- Neutral molecule
- CAS
- 7473-98-5
- EC
- 231-272-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
46- 1-Hydroxy-1-methylethyl phenyl ketone
- 1-Phenyl-2-hydroxy-2-methyl-1-propanone
- 1-Phenyl-2-methyl-2-hydroxypropanone
- 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-
- 1173HMPE
- 2,2-Dimethyl-2-hydroxyacetophenone
- 2-Benzoyl-2-hydroxypropane
- 2-Benzoyl-2-propanol
- 2-Hydroxy-2,2-dimethylacetophenone
- 2-Hydroxy-2-benzoylpropane
- 2-Hydroxy-2-methyl-1-phenyl-1-propanone
- 2-Hydroxy-2-methyl-1-phenylpropane-1-one
- 2-Hydroxy-2-methyl-1-phenylpropanone
- 2-Hydroxy-2-methyl-1-propiophenone
- 2-Hydroxy-2-methyl-propylphenone
- 2-Hydroxy-2-methylphenylpropanone
- 2-Hydroxy-2-methylpropiophenone
- 2-Hydroxy-methylphenylpropan-1-one
- 2-Methyl-2-hydroxy-1-phenyl-1-propanone
- 2-Methyl-3-phenyl-3-oxopropan-2-ol
- Additol HDMAP
- AgiSyn 1810
- Chemcure 73
- Darocur 97
- Darocur DR 1173
- Esacure KL 200
- FirstCure HMPP
- Genocure DHMA
- Genocure DMHA
- HMPP
- Hydroxy dimethyl acetophenone
- IHT-PI 1173
- IHT-PI 6022
- IHT-PI PBZ
- JRCure 1103
- JRcure 1173
- Methyl-1-phenylpropan-1-one
- Micure HP 8
- Omnirad 73
- Photocure 50
- Propiophenone, 2-hydroxy-2-methyl-
- Speedcure 73
- α,α-Dimethyl-α-hydroxyacetophenone
- α-Hydroxy-α,α-dimethylacetophenone
- α-Hydroxy-α-methylpropiophenone
- α-Hydroxyisobutyrophenone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XMLYCEVDHLAQEL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-hydroxy-2-methyl-1-phenylpropan-1-one |
| Molecular formula chemrof:molecular_formula | C10H12O2 |
| Molecular mass chemrof:molecular_mass | 164.204 |
| Monoisotopic mass chemrof:monoisotopic_mass | 164.08373 |
| SMILES string chemrof:smiles_string | CC(C)(O)C(=O)c1ccccc1 |
Known URLs
9Where 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=7473-98-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.028.429 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8044830 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401744 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187850 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z0LRG273AD | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.899D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/81984 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27294844 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3c9c164a-ce71-4ce6-ac8f-f1383ff36720 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9bb157e6-bd3e-46b6-8a20-b8facdebd01b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 88462ef6-48f5-42ed-8fa2-5e429a11bca3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f365c8f8-2638-4576-9b66-b8e8ff40a271 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c83a31c7-e82f-44cd-ac3e-367ef0829b64 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 07b95ce6-a117-47ce-bcec-1e8594609048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 174b7003-a853-4cfe-be03-f5e402c2b4bd | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 786cf2ee-e896-426e-a45e-f4d55202d79d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 32cf5379-d007-464c-9309-649a97348ea3 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 18f70976-ad6d-4015-88f5-1f786aba1fee | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 814d7313-4143-45af-b9c5-a0002826a9be | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| dbfe177a-e84d-4db0-bebc-6ab3babbe4dd | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5b3fce06-2f0b-448a-9cb3-19a4f7f284b4 | 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-911926ea049d0a7b",
"prefLabel": [
{
"@value": "2-hydroxy-2-methyl-1-phenylpropan-1-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Hydroxy-1-methylethyl phenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Phenyl-2-hydroxy-2-methyl-1-propanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Phenyl-2-methyl-2-hydroxypropanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Propanone, 2-hydroxy-2-methyl-1-phenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1173HMPE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-2-hydroxyacetophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Benzoyl-2-hydroxypropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Benzoyl-2-propanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2,2-dimethylacetophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-benzoylpropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methyl-1-phenyl-1-propanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methyl-1-phenylpropane-1-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methyl-1-phenylpropanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methyl-1-propiophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methyl-propylphenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methylphenylpropanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2-methylpropiophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-methylphenylpropan-1-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-2-hydroxy-1-phenyl-1-propanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-3-phenyl-3-oxopropan-2-ol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Additol HDMAP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AgiSyn 1810",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chemcure 73",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Darocur 97",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Darocur DR 1173",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Esacure KL 200",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "FirstCure HMPP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Genocure DHMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Genocure DMHA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HMPP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hydroxy dimethyl acetophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "IHT-PI 1173",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "IHT-PI 6022",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "IHT-PI PBZ",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JRCure 1103",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JRcure 1173",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methyl-1-phenylpropan-1-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Micure HP 8",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Omnirad 73",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Photocure 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propiophenone, 2-hydroxy-2-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Speedcure 73",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α-Dimethyl-α-hydroxyacetophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Hydroxy-α,α-dimethylacetophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Hydroxy-α-methylpropiophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Hydroxyisobutyrophenone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:7473-98-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H12O2"
],
"attested_by": {
"C10H12O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XMLYCEVDHLAQEL-UHFFFAOYSA-N"
],
"attested_by": {
"XMLYCEVDHLAQEL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(O)C(=O)c1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-hydroxy-2-methyl-1-phenylpropan-1-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
],
"attested_by": {
"CC(C)(O)C(=O)c1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-hydroxy-2-methyl-1-phenylpropan-1-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-hydroxy-2-methyl-1-phenylpropan-1-one"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-hydroxy-2-methyl-1-phenylpropan-1-one"
]
},
"attested_by": {
"2-hydroxy-2-methyl-1-phenylpropan-1-one": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
164.204
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C(=O)C1=CC=CC=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
],
"attested_by": {
"164.204": [
"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": [
164.08373
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C(=O)C1=CC=CC=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(O)C(=O)c1ccccc1"
]
}
],
"attested_by": {
"164.08373": [
"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=J30.899D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.028.429",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7473-98-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"7473-98-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8044830",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401744",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z0LRG273AD",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/81984",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[7473-98-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187850",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27294844",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:81984;CAS:7473-98-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7473-98-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "07b95ce6-a117-47ce-bcec-1e8594609048",
"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": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"7473-98-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7473-98-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"231-272-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=231-272-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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