Brightway Flows 1.0
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3,7-dimethyloct-1-en-3-ol

fo-fe4984dd4ae5c7a0

Identity

Type
Neutral molecule
CAS
18479-49-7
EC
242-358-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,7-dimethyloct-1-en-3-ol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IUDWWFNDSJRYRV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3
IUPAC name chemrof:IUPAC_name 3,7-dimethyloct-1-en-3-ol
Molecular formula chemrof:molecular_formula C10H20O
Molecular mass chemrof:molecular_mass 156.269
Monoisotopic mass chemrof:monoisotopic_mass 156.151415
SMILES string chemrof:smiles_string C=CC(C)(O)CCCC(C)C

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=18479-49-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.493 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30864839 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/25VV2M2VR9 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303850 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J100.792K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86748 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27254006 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
da45f1b0-02fa-464a-b1f8-83aacd4cabf5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
78941ba2-ad23-4c68-98ac-a6c43fc7c1e7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4a3ce5c9-0ede-4cd1-bfa7-5c85be12c4e2 Environmental → Air → Indoor EF 3.1 kg 2
e158b7f4-a621-47c7-b677-cb302f5984cf Environmental → Air → Long-term EF 3.1 kg 0
c197565b-44d7-4294-a076-bce85ec1ec23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8dcb7f3d-a95b-475c-80f7-ee5c926b7903 Environmental → Air → Unknown EF 3.1 kg 2
a29a3355-61ca-4c9a-ab2c-3cce3a38ea64 Environmental → Ground → Agricultural EF 3.1 kg 2
9c294a48-bae9-415c-9784-71b48db31f06 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fb3d74b1-5d4f-4551-86f9-5cbc5fc039c3 Environmental → Ground → Unknown EF 3.1 kg 2
9bcdfa58-7944-4bdb-b43a-14779e8f2e1c Environmental → Water → Long-term EF 3.1 kg 0
dc95a524-0308-4340-902f-cbed17534e7c Environmental → Water → Ocean EF 3.1 kg 2
afa6e21f-3ad8-4bfb-9a78-eb2281ed0510 Environmental → Water → Surface water EF 3.1 kg 2
8a9c75bc-f7c9-4beb-a373-0ce421e4783a 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-fe4984dd4ae5c7a0",
  "prefLabel": [
    {
      "@value": "3,7-dimethyloct-1-en-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Octen-3-ol, 3,7-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:18479-49-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18479-49-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,7-Dimethyl-1-octen-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18479-49-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,7-Dihydrolinalool",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrolinalol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    },
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      "provenance": [
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        },
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      ],
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      "provenance": {
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
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          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
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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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        },
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "156.151415": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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    },
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  ],
  "created_from": {
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    "semantic_typing": {
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      ],
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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