Brightway Flows 1.0
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4-methyldec-3-en-5-ol

fo-f4c86842bdf012df

Identity

Type
Neutral molecule
CAS
81782-77-6
EC
279-815-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-methyldec-3-en-5-ol

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WSTQLNQRVZNEDV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-methyldec-3-en-5-ol
Molecular formula chemrof:molecular_formula C11H22O
Molecular mass chemrof:molecular_mass 170.296
Monoisotopic mass chemrof:monoisotopic_mass 170.167065
SMILES string chemrof:smiles_string CCC=C(C)C(O)CCCCC

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=81782-77-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.072.537 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8052560 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/163336 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2557379 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q72489831 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b7c5c5de-dcf2-4ca9-b67c-75cb87a144fe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e35dccde-bcd4-4c83-9dd9-d6b5dc7edc37 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6fabef0d-cdd1-458f-8031-e3212bd98f7d Environmental → Air → Indoor EF 3.1 kg 2
73ae364b-98de-486e-96cd-3a6a03d63769 Environmental → Air → Long-term EF 3.1 kg 0
0365f889-6cd4-4d9f-ae47-54f691fda49f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
37a3bd9b-845a-40d3-8b47-8f1883900c92 Environmental → Air → Unknown EF 3.1 kg 2
4d9e43ac-9196-4f1a-9893-586a9155df5a Environmental → Ground → Agricultural EF 3.1 kg 2
25484faf-3bde-4d48-8db6-5bc7bd7f82d2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a1e24074-3a43-446e-a901-5ceacfe87062 Environmental → Ground → Unknown EF 3.1 kg 2
b2648ca3-8143-44ad-93c5-54098a44810f Environmental → Water → Long-term EF 3.1 kg 0
7652bbda-63a0-4a2b-a337-384aa01cf0e8 Environmental → Water → Ocean EF 3.1 kg 2
1e3c2cc8-a103-4dbc-a8db-ab1f52cc53b1 Environmental → Water → Surface water EF 3.1 kg 2
53c7ad35-a478-4081-b406-ef4b50ac92be Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f4c86842bdf012df",
  "prefLabel": [
    {
      "@value": "4-methyldec-3-en-5-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Decen-5-ol, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81782-77-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81782-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-3-decen-5-ol",
      "@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=81782-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H22O"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "WSTQLNQRVZNEDV-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CCC=C(C)C(O)CCCCC"
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      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
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        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3"
      ],
      "provenance": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-methyldec-3-en-5-ol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-methyldec-3-en-5-ol"
        ]
      },
      "attested_by": {
        "4-methyldec-3-en-5-ol": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCC(C(=CCC)C)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC=C(C)C(O)CCCCC"
          ]
        }
      ],
      "attested_by": {
        "170.296": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        170.167065
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCC(C(=CCC)C)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC=C(C)C(O)CCCCC"
          ]
        }
      ],
      "attested_by": {
        "170.167065": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.072.537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[81782-77-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=81782-77-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[81782-77-6]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[81782-77-6]"
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    },
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72489831",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "pubchem.identifiers[81782-77-6]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0365f889-6cd4-4d9f-ae47-54f691fda49f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "81782-77-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=81782-77-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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