Consensus flow list

Identity

Type
Neutral molecule
CAS
11071-47-9
EC
234-294-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Octene, Reaction Product Of Butene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DFVOXRAAHOJJBN-UHFFFAOYSA-N, FXNDIJDIPNCZQJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
IUPAC name chemrof:IUPAC_name Isooctene
Molecular formula chemrof:molecular_formula C8H16
SMILES string chemrof:smiles_string C=C(C)CC(C)(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=11071-47-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.165 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30891923 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0094705 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.892C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21122 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1216 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81981916 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0458b5fe-365d-431e-9acf-4a8c5cdbe497 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7b8e7362-2756-4d8e-af49-1c21d4005943 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
27e77ba9-1d69-44a4-b9fa-4b265ea77dda Environmental → Air → Indoor EF 3.1 kg 4
2df95016-c772-4715-8e7f-b7da427580c4 Environmental → Air → Long-term EF 3.1 kg 0
e4df2af5-f018-40a4-990c-76a0a3da80f2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6416570f-4607-47b2-a276-d948ba6a529d Environmental → Air → Unknown EF 3.1 kg 4
2e42fa0d-fc14-45ef-ae26-454478b41a5e Environmental → Ground → Agricultural EF 3.1 kg 4
db449135-397d-4850-b285-2b791c913132 Environmental → Ground → Non-agricultural EF 3.1 kg 4
de1d25f2-963e-40d7-9288-460d6afd8ce1 Environmental → Ground → Unknown EF 3.1 kg 4
76aadb7a-a477-440d-8dca-bfae6770c0b4 Environmental → Water → Long-term EF 3.1 kg 0
251c9206-417b-4947-8adc-e07100efff85 Environmental → Water → Ocean EF 3.1 kg 4
ebf757b4-acf6-44a5-966f-361c64cc6149 Environmental → Water → Surface water EF 3.1 kg 4
162f10ac-7c16-4840-83cd-428d4c1d6f4c 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-74359330551a1ab1",
  "prefLabel": [
    {
      "@value": "Octene, Reaction Product Of Butene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Di-n-butene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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    },
    {
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        ],
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      }
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  ],
  "properties": {
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      "@value": [
        "C8H16"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3"
      ],
      "provenance": [
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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": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Isooctene": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "0458b5fe-365d-431e-9acf-4a8c5cdbe497",
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    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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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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