Brightway Flows 1.0
GitHub

Benzophenone

fo-3cdf2e160f6dc9ed

Identity

Type
Neutral molecule
CAS
119-61-9
EC
204-337-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzophenone

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RWCCWEUUXYIKHB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
IUPAC name chemrof:IUPAC_name Benzophenone
Molecular formula chemrof:molecular_formula C13H10O
Molecular mass chemrof:molecular_mass 182.222
Monoisotopic mass chemrof:monoisotopic_mass 182.07316, 182.073165
SMILES string chemrof:smiles_string O=C(c1ccccc1)c1ccccc1

Known URLs

56

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
beilstein beilstein:1238185 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=119-61-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41308 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.943 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0389 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.2991.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021961 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01878 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01878 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8077 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL90039 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/benzophenone enrich_references.pubchem_identifier_url
gmelin gmelin:4256 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/701M4TTV9O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032049 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.481C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06354 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06354 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45232 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BZQ enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA166325842 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL90039 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3102 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1224 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017932 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10728861 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10864504 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10877357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14673848 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15373829 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15672204 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16212356 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16820853 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16853025 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16999485 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17439666 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17955805 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19388040 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19655709 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19939518 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20534002 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21238557 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21277784 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21919502 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23963450 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24226914 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25788150 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26254646 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26282042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30720459 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32736220 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33682414 enrich_references.chebi_xrefs
reaxys reaxys:1238185 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/18997 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q409482 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzophenone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fc12db32-3fc5-4e09-82d7-c261320aedf3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9f1d5891-f815-4dcb-bba1-05c538cd1b07 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0c247376-9281-40a0-a97b-402740e736df Environmental → Air → Indoor EF 3.1 kg 4
7e564148-94a9-407a-bc25-c8917b1b9668 Environmental → Air → Long-term EF 3.1 kg 0
43f59961-f777-46d6-89fa-92c11d8dd084 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
829571b7-2a3a-49cd-95be-58b4caf954b5 Environmental → Air → Unknown EF 3.1 kg 4
ca2ca2ef-d079-4f40-bf96-25a6b814ddcb Environmental → Ground → Agricultural EF 3.1 kg 4
886aec68-4037-4c3c-b104-84b500e76fa7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
73f45587-19e6-469d-b9a1-4828a5cf37ec Environmental → Ground → Unknown EF 3.1 kg 4
d42d1d52-ca90-48d3-a78e-31f1aabc1f6b Environmental → Water → Long-term EF 3.1 kg 0
d78dafff-ed1f-4888-81d1-db980222dd13 Environmental → Water → Ocean EF 3.1 kg 4
c45a249d-9f15-4486-b98b-2a24668bf1ba Environmental → Water → Surface water EF 3.1 kg 4
8081c423-2711-46b0-b85f-349657a0e383 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3cdf2e160f6dc9ed",
  "prefLabel": [
    {
      "@value": "Benzophenone",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "alpha-oxodiphenylmethane",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-oxoditane",
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          "http://purl.obolibrary.org/obo/CHEBI_41308"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzene, benzoyl-",
      "@language": "en",
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
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    {
      "@value": "benzoylbenzene",
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      }
    },
    {
      "@value": "Chemcure BP",
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      }
    },
    {
      "@value": "Darocur BP",
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        ],
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      }
    },
    {
      "@value": "Diphenyl ketone",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "DIPHENYLMETHANONE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Gencure BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hycure Benzophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgacure BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "JRCure 1020",
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      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kayacure BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kayacure BP 100",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lowlite 24",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, diphenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Omnirad BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Omnirad BP Flakes",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ph2CO",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_41308"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Photoinitiator BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PI BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SB-PI 710",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Speedcure BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Winure BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:119-61-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Oxodiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Oxoditane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=119-61-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H10O"
      ],
      "attested_by": {
        "C13H10O": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=C(c1ccccc1)c1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C(c1ccccc1)c1ccccc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "O=C(c1ccccc1)c1ccccc1"
          ]
        }
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