2,2,2-trichloro-1-phenylethyl Acetate

(Trichloromethyl)phenylcarbinyl acetate
(±)-α-(Trichloromethyl)benzyl acetate
2-Acetoxy-1,1,1-trichloro-2-phenylethane
Benzenemethanol, α-(trichloromethyl)-, 1-acetate
Benzenemethanol, α-(trichloromethyl)-, acetate
Benzyl alcohol, α-(trichloromethyl)-, acetate
Crystal rose
Rosacetate
Rosacetol
Rosephenone
Rosetone
Rosinol Cryst
Rosone
α-(Trichloromethyl)benzyl acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	JKRWZLOCPLZZEI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
IUPAC name chemrof:IUPAC_name	2,2,2-trichloro-1-phenylethyl Acetate
Molecular formula chemrof:molecular_formula	C10H9Cl3O2
Molecular mass chemrof:molecular_mass	267.539
Monoisotopic mass chemrof:monoisotopic_mass	265.966813
SMILES string chemrof:smiles_string	CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl

Where 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=90-17-5	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88586	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.793	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2047725	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=165582	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183831	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4VE62Y0O29	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0061807	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.598F	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130622	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7007	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q22052707	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
abe0d619-4070-4a25-8f4f-af972b11835b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8641e336-bc3d-4707-aa1c-e30cfc48a03e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a248497e-16d3-4c6d-a698-802944ac7f79	Environmental → Air → Indoor	EF 3.1	kg	2
b645a638-352b-4ee1-bc94-790a314bd169	Environmental → Air → Long-term	EF 3.1	kg	0
f0a6f503-e3ec-4f32-aaaf-dd4918e9d511	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4999bad9-8919-4ffa-a896-fe879fda2cfd	Environmental → Air → Unknown	EF 3.1	kg	2
acfc4a93-4923-4908-b9d4-347783cccb3b	Environmental → Ground → Agricultural	EF 3.1	kg	2
8d407008-cdec-4209-9211-fe3c61e4f3f2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5ef7cc2b-9af2-46b0-9d38-9705d6fe1515	Environmental → Ground → Unknown	EF 3.1	kg	2
3e4acb59-418f-4b0c-b5fc-b6b6ceb1703c	Environmental → Water → Long-term	EF 3.1	kg	0
d627bbb5-cdf8-43de-9ab7-004dce7ce20b	Environmental → Water → Ocean	EF 3.1	kg	2
8325169b-9f92-4202-b445-6cb21095ff94	Environmental → Water → Surface water	EF 3.1	kg	2
04a5e336-5204-45ab-86a6-75348712f916	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-054e8cded4fdab1d",
  "prefLabel": [
    {
      "@value": "2,2,2-trichloro-1-phenylethyl Acetate",
      "@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": "(Trichloromethyl)phenylcarbinyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-α-(Trichloromethyl)benzyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Acetoxy-1,1,1-trichloro-2-phenylethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, α-(trichloromethyl)-, 1-acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, α-(trichloromethyl)-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, α-(trichloromethyl)-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crystal rose",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosacetol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosephenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosetone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosinol Cryst",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rosone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-(Trichloromethyl)benzyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-17-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H9Cl3O2"
      ],
      "attested_by": {
        "C10H9Cl3O2": [
          "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:7007"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JKRWZLOCPLZZEI-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JKRWZLOCPLZZEI-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:7007"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,2-trichloro-1-phenylethyl Acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
        "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,2-trichloro-1-phenylethyl Acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3": [
          "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-trichloro-1-phenylethyl Acetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2,2-trichloro-1-phenylethyl Acetate"
        ]
      },
      "attested_by": {
        "2,2,2-trichloro-1-phenylethyl Acetate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        267.539
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
        "267.539": [
          "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": [
        265.966813
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"
          ]
        }
      ],
      "attested_by": {
        "265.966813": [
          "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=J50.598F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.793",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=90-17-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "90-17-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2047725",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=165582",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4VE62Y0O29",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0061807",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7007",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[90-17-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88586",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183831",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130622",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q22052707",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7007;CAS:90-17-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90-17-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04a5e336-5204-45ab-86a6-75348712f916",
    "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": [
        "90-17-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=90-17-5"
        }
      ],
      "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": [
        "201-972-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-972-0"
      ],
      "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"
  ]
}

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

2,2,2-trichloro-1-phenylethyl Acetate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard