Consensus flow list

Identity

Type
NeutralMolecule
CAS
947-19-3
EC
213-426-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (1-hydroxycyclohexyl)(phenyl)methanone

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QNODIIQQMGDSEF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
IUPAC name chemrof:IUPAC_name (1-hydroxycyclohexyl)(phenyl)methanone
Molecular formula chemrof:molecular_formula C13H16O2
Molecular mass chemrof:molecular_mass 204.269
Monoisotopic mass chemrof:monoisotopic_mass 204.11503
SMILES string chemrof:smiles_string O=C(c1ccccc1)C1(O)CCCCC1

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=947-19-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044748 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401908 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E7JVN2243X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247678 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.368A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70355 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276972 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eeb0581d-5a7b-417b-bfff-36a8e715e087 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
44bedbc2-4b1d-41d3-8250-c566c71f8009 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
25323925-a4e8-4a52-a284-121061f5fe14 Environmental → Air → Indoor EF 3.1 kg 4
dbd08f62-defa-4c0d-a901-a3a57ad34077 Environmental → Air → Long-term EF 3.1 kg 0
0c4070e2-9095-4c2f-b66e-113b27980ff5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d8251974-35a5-4d5d-adfb-0dc5985d9944 Environmental → Air → Unknown EF 3.1 kg 4
973d26dd-ce98-430d-ac4e-555e2462a1f0 Environmental → Ground → Agricultural EF 3.1 kg 4
294d5551-3d1d-4c51-adea-53d9c7d50061 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cb918770-c0a3-4d7d-9f16-466f010c5580 Environmental → Ground → Unknown EF 3.1 kg 4
3ef86dc7-e339-4bef-af44-5f41f590b4d5 Environmental → Water → Long-term EF 3.1 kg 0
e288c7bb-0327-4abf-ad41-a5519bf65d37 Environmental → Water → Ocean EF 3.1 kg 4
c6206ada-c43e-4e33-a9d6-e81d0af3e6e1 Environmental → Water → Surface water EF 3.1 kg 4
3ce45991-8610-4eac-90e1-531a94ab4928 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3e46324ef25a7a05",
  "prefLabel": [
    {
      "@value": "(1-hydroxycyclohexyl)(phenyl)methanone",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1-Hydroxycyclohexyl)phenylmethanone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Benzoyl-1-hydroxycyclohexane",
      "@language": "en",
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      }
    },
    {
      "@value": "1-Benzoylcyclohexanol",
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    },
    {
      "@value": "1-Hydroxy-1-cyclohexyl phenyl ketone",
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    {
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      "@value": "Additol CPK",
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      "@value": "Daido UV-Cure 174",
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      "@value": "HCPK",
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    {
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    {
      "@value": "Irgacure G 17-1184",
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      "@value": "Irgacure I 184",
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    },
    {
      "@value": "JRCure 1104",
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    },
    {
      "@value": "JRcure 184",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketone, 1-hydroxycyclohexyl phenyl",
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    },
    {
      "@value": "Methanone, (1-hydroxycyclohexyl)phenyl-",
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    },
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      "@value": "Micure CP 4",
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    {
      "@value": "SarCure SR 1122",
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    },
    {
      "@value": "SB-PI 714",
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    {
      "@value": "Speedcure 84",
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    },
    {
      "@value": "Suncure 84",
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    },
    {
      "@value": "UV-Cure 174",
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    {
      "@value": "X-Cure 184",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Hydroxy-α-cyclohexyl phenyl ketone",
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      "provenance": {
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    },
    {
      "@value": "α-Hydroxycyclohexyl phenyl ketone",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C13H16O2"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QNODIIQQMGDSEF-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    },
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      "@id": "https://w3id.org/chemrof/smiles_string",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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