Consensus flow list

Identity

Type
Neutral molecule
CAS
712-50-5
EC
211-923-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cyclohexyl(phenyl)methanone

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BMFYCFSWWDXEPB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
IUPAC name chemrof:IUPAC_name Cyclohexyl(phenyl)methanone
Molecular formula chemrof:molecular_formula C13H16O
Molecular mass chemrof:molecular_mass 188.27
Monoisotopic mass chemrof:monoisotopic_mass 188.120115
SMILES string chemrof:smiles_string O=C(c1ccccc1)C1CCCCC1

Known URLs

9

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=712-50-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.840 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5048182 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=818 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188506 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0NU53987V8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.727B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12837 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27237012 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5b270821-8346-4086-8b0c-5081cb9d7fa6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e09f1948-e65a-4ee9-8595-8521e25a4742 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9482b78a-9ee2-4807-9e37-fd9f6eb6ce1d Environmental → Air → Indoor EF 3.1 kg 2
5ef6fded-10e3-4340-ac6e-04dc4cc072fc Environmental → Air → Long-term EF 3.1 kg 0
c1a308e8-0338-4ff4-a6e9-0be681b49785 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e6eb3852-24c4-442b-ac80-c448f303f83a Environmental → Air → Unknown EF 3.1 kg 2
56fd7d6f-14ac-4c3c-8fcb-9be3a3c6c98e Environmental → Ground → Agricultural EF 3.1 kg 2
0412d351-2bf1-49b8-b646-285265a8a942 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d1e0624-ca09-49a7-9a4f-ef5389f13d66 Environmental → Ground → Unknown EF 3.1 kg 2
bd975708-74c8-4873-a9e3-d44f37dbbde3 Environmental → Water → Long-term EF 3.1 kg 0
86783f89-4117-4572-8866-13fcf505be80 Environmental → Water → Ocean EF 3.1 kg 2
a6a92c56-8a45-4796-b8f6-7c37ca8ef3ce Environmental → Water → Surface water EF 3.1 kg 2
85a963dd-d733-4b8e-82fc-44cce0ae0a37 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-78a443581f48bb87",
  "prefLabel": [
    {
      "@value": "Cyclohexyl(phenyl)methanone",
      "@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": "Benzoyl cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=712-50-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexyl phenyl ketone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexylphenylmethanone",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketone, cyclohexyl phenyl",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, cyclohexylphenyl-",
      "@language": "en",
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    },
    {
      "@value": "Phenyl cyclohexyl ketone",
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