Consensus flow list

Identity

Type
Neutral molecule
CAS
112-76-5
EC
204-004-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Octadecanoyl Chloride

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WTBAHSZERDXKKZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
IUPAC name chemrof:IUPAC_name Octadecanoyl Chloride
Molecular formula chemrof:molecular_formula C18H35ClO
Molecular mass chemrof:molecular_mass 302.93
Monoisotopic mass chemrof:monoisotopic_mass 302.237643
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCC(=O)Cl

Known URLs

8

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=112-76-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.640 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9051583 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MYP8E32GM2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258492 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.175G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8212 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27284300 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bac55f98-85d6-4d4a-baff-6da6a4d1f547 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b3f4de2f-e08b-4e97-adb4-e845a486b52b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3c89e587-5fb1-4da7-8207-110f7f0354a2 Environmental → Air → Indoor EF 3.1 kg 2
3e700649-ea07-4c6e-beab-999ec1edf758 Environmental → Air → Long-term EF 3.1 kg 0
9dbae545-e044-4c9f-a6aa-617899aea935 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
55df9067-7915-4329-b136-719c2ce07671 Environmental → Air → Unknown EF 3.1 kg 2
2076a255-1774-4010-a0ff-8e853ec48670 Environmental → Ground → Agricultural EF 3.1 kg 2
d9d19517-cb31-41c3-bf73-6d2051340f1a Environmental → Ground → Non-agricultural EF 3.1 kg 2
6fbc94eb-f820-4cb0-8b33-828dc7e78bdd Environmental → Ground → Unknown EF 3.1 kg 2
2ea0fa03-ddc9-4109-ab4a-8a13786c36b3 Environmental → Water → Long-term EF 3.1 kg 0
a6c186fc-19ba-43ad-9380-b7c7b159a509 Environmental → Water → Ocean EF 3.1 kg 2
b2086127-1323-4ed5-8eb6-e2e10eefe983 Environmental → Water → Surface water EF 3.1 kg 2
1d5e32bf-0e90-4688-99df-970b91317ffe Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-575d31ae54c82de6",
  "prefLabel": [
    {
      "@value": "Octadecanoyl Chloride",
      "@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": "Octadecanoic acid chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octadecyloyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-76-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stearic acid chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stearic chloride",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stearoyl chloride",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Stearyl acid chloride",
      "@language": "en",
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      }
    },
    {
      "@value": "Stearyl chloride",
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      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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      "@value": [
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      ],
      "provenance": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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      "attested_by": {
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      },
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    }
  },
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  "@type": [
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}

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