Consensus flow list

Identity

Type
Neutral molecule
CAS
112-88-9
EC
204-012-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Octadec-1-ene

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CCCMONHAUSKTEQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
IUPAC name chemrof:IUPAC_name Octadec-1-ene
Molecular formula chemrof:molecular_formula C18H36
Molecular mass chemrof:molecular_mass 252.486
Monoisotopic mass chemrof:monoisotopic_mass 252.2817, 252.281701
SMILES string chemrof:smiles_string C=CCCCCCCCCCCCCCCCC

Known URLs

20

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=112-88-9 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25511-67-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27070-58-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30824 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.648 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.808 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026932 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66460 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187417 enrich_references.pubchem_identifier_url
gmelin gmelin:263388 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H5ZUQ6V4AK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.500G enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000325 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5023 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8217 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23731184 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23857757 enrich_references.chebi_xrefs
reaxys reaxys:1761067 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q10859725 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Octadecene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ba37bb28-d433-4f3a-b89f-3c650bbe6f46 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
027309ef-4793-45ec-b372-fea70dd4973e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
61c6d6a5-ea44-4790-9b73-424dfd4f99dd Environmental → Air → Indoor EF 3.1 kg 4
82485dd3-ee5b-419f-98ba-e8c2f37fb4cb Environmental → Air → Long-term EF 3.1 kg 0
e68deea7-0ace-4b11-8f0e-fe15418ff7e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
27cb094a-a0bc-4677-84e7-b414533d77a1 Environmental → Air → Unknown EF 3.1 kg 4
4537b4df-0981-4afe-b5fb-a695751d9d0c Environmental → Ground → Agricultural EF 3.1 kg 4
9e2528c9-354e-48ed-a256-dc955d1b39c9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c814c03f-cabf-46fc-bfee-fc972fb84494 Environmental → Ground → Unknown EF 3.1 kg 4
6f6fe1a3-20ce-45cc-a038-bcc629c07a45 Environmental → Water → Long-term EF 3.1 kg 0
ac8ad7b5-a063-4782-8723-d44f74e4e9f7 Environmental → Water → Ocean EF 3.1 kg 4
c94c1b0f-0ac7-4fb6-8fc4-0a9f7d2b3875 Environmental → Water → Surface water EF 3.1 kg 4
9faac792-074f-4c34-82b9-4e7cb5409eac Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-224070643f89b457",
  "prefLabel": [
    {
      "@value": "Octadec-1-ene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-octadecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-octadecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-octadecylene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "AlphaPlus 1-Octadecene",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Dialen 18",
      "@language": "en",
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      }
    },
    {
      "@value": "Gulftene 18",
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    },
    {
      "@value": "Linealene 18",
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    },
    {
      "@value": "Linealene C 18",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodene 18",
      "@language": "en",
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      "provenance": {
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    },
    {
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    },
    {
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