Consensus flow list

Identity

Type
Neutral molecule
CAS
86960-46-5
EC
617-941-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Benzoic Acid, 4-[ (1-oxodecyl) Oxy]-

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QTMHHQFADWIZCP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3,(H,19,20)
IUPAC name chemrof:IUPAC_name 4-Carboxyphenyl decanoate
Molecular formula chemrof:molecular_formula C17H24O4
Molecular mass chemrof:molecular_mass 292.375
Monoisotopic mass chemrof:monoisotopic_mass 292.167459
SMILES string chemrof:smiles_string CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1

Known URLs

6

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=86960-46-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.065 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60394134 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.638.522K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3608562 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82193357 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ec5b4ecd-4fcd-4ca8-949e-2fa53b6ef3a9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cae16646-54d9-4824-ac5a-97dce37b7093 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7df6f03e-401c-4bb3-8e92-a5dfd578201a Environmental → Air → Indoor EF 3.1 kg 4
4a3a1aaf-9f72-47cc-b99d-e49b8c015803 Environmental → Air → Long-term EF 3.1 kg 0
1b1ee054-de67-4ff0-a6b9-a053d66d4c76 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dbb09747-1a61-417b-b47d-2a9844ccef3c Environmental → Air → Unknown EF 3.1 kg 4
de4206bc-294f-4765-b522-6c7d44a225e1 Environmental → Ground → Agricultural EF 3.1 kg 4
61e7fd2c-9997-4197-94af-7c13a8d58962 Environmental → Ground → Non-agricultural EF 3.1 kg 4
94bf66d4-7343-4c2a-85f3-26cb1bc178d4 Environmental → Ground → Unknown EF 3.1 kg 4
d249de0c-b49a-4465-a4d6-92e6ac5efa62 Environmental → Water → Long-term EF 3.1 kg 0
34fe06bc-70a6-496d-8661-2174c9e5fe02 Environmental → Water → Ocean EF 3.1 kg 4
eb51b69f-4457-45b5-b237-c4e1285012ff Environmental → Water → Surface water EF 3.1 kg 4
0ce58d7d-2d75-4529-a27f-e0dd27882fda Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0c899389157cec82",
  "prefLabel": [
    {
      "@value": "Benzoic Acid, 4-[ (1-oxodecyl) Oxy]-",
      "@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": "4-[(1-Oxodecyl)oxy]benzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:86960-46-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=86960-46-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Carboxyphenyl decanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:86960-46-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=86960-46-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Decanoyloxybenzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-[(1-oxodecyl)oxy]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=86960-46-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Carboxyphenyl decanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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      }
    },
    {
      "@value": "p-Decanoyloxybenzoic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxybenzoic acid decanoate ester",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Para-decanoyloxybenzoic acid",
      "@language": "en",
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      "provenance": {
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      }
    }
  ],
  "properties": {
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        "C17H24O4"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
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          ]
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      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
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        }
      ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        ]
      },
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  },
  "references": [
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}

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