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Hexanoic Anhydride

fo-5a0f6b1bc4c82d4f

Identity

Type
Neutral molecule
CAS
2051-49-2
EC
218-121-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexanoic Anhydride

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PKHMTIRCAFTBDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name Hexanoic Anhydride
Molecular formula chemrof:molecular_formula C12H22O3
Molecular mass chemrof:molecular_mass 214.305
Monoisotopic mass chemrof:monoisotopic_mass 214.156895
SMILES string chemrof:smiles_string CCCCCC(=O)OC(=O)CCCCC

Known URLs

7

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=2051-49-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.475 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20870929 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GG70Y8LTBY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.911A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74918 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27279092 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9eecd4a4-f2cf-4b30-b65c-06c8e931575d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b7092395-eb0e-4da7-aca4-6b9c6cc63df9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
24ce1a23-7656-424c-9c8f-2a9d3c50c5f0 Environmental → Air → Indoor EF 3.1 kg 2
45dd0f43-1fe4-412b-921a-3214e2bfc50f Environmental → Air → Long-term EF 3.1 kg 0
2632a4e7-c0f1-469b-babb-d18e0e8d4499 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
015681e8-57c6-4e1c-92ea-3129e8a381a4 Environmental → Air → Unknown EF 3.1 kg 2
455fa89b-144d-4c6a-b0f0-3d72dc121bdf Environmental → Ground → Agricultural EF 3.1 kg 2
99b81238-fe5a-459d-80b0-0250e6a508ce Environmental → Ground → Non-agricultural EF 3.1 kg 2
b8ca18ba-b29b-4e4c-afe3-33ba13329850 Environmental → Ground → Unknown EF 3.1 kg 2
3f9b6465-87f7-48b1-91b6-3bde7ec5edb1 Environmental → Water → Long-term EF 3.1 kg 0
a2abd51f-8030-4cc4-9ca1-0b7f2dc2507f Environmental → Water → Ocean EF 3.1 kg 2
df65d5bb-97b4-41b0-86f9-52ca0554d8ec Environmental → Water → Surface water EF 3.1 kg 2
50ced231-69b5-4431-b1cb-cc8e9a86ddde 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-5a0f6b1bc4c82d4f",
  "prefLabel": [
    {
      "@value": "Hexanoic Anhydride",
      "@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": "Caproic acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2051-49-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2051-49-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Caproic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2051-49-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2051-49-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capronic acid anhydride",
      "@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=2051-49-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capronic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2051-49-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanoic acid, 1,1′-anhydride",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanoic acid, anhydride",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Hexanoyl anhydride",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "n-Hexanoic acid anhydride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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  "properties": {
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        },
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      "rdfs:label": "InChI",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
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  },
  "references": [
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      "provenance": {
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      }
    },
    {
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    {
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  ],
  "created_from": {
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    "semantic_typing": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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