Consensus flow list

Identity

Type
Neutral molecule
CAS
27458-93-1
EC
248-470-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isooctadecan-1-ol

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WNWHHMBRJJOGFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
IUPAC name chemrof:IUPAC_name Isooctadecan-1-ol
Molecular formula chemrof:molecular_formula C18H38O
Molecular mass chemrof:molecular_mass 270.501
Monoisotopic mass chemrof:monoisotopic_mass 270.292266
SMILES string chemrof:smiles_string CC(C)CCCCCCCCCCCCCCCO

Known URLs

14

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=27458-93-1 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84911 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.050 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.463 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80892268 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107291 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W29XHH208C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.263D enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04633 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C174869 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62825 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1362928 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27158175 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72485475 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
961a771f-11ec-48ee-8c7d-641a02637fd3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
14405f9a-697e-4743-b210-51a9cd289425 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3886e7fd-9d0b-4297-9e84-7f503188f94c Environmental → Air → Indoor EF 3.1 kg 4
7be7f729-9da9-4cc7-8374-77e7c8a5d567 Environmental → Air → Long-term EF 3.1 kg 0
3d0ca664-b58d-4159-b419-d4601e896589 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
922b9921-e524-4f13-b844-64af4e083061 Environmental → Air → Unknown EF 3.1 kg 4
f2d1ea79-182e-45b6-b8ee-3ec5566bcbd0 Environmental → Ground → Agricultural EF 3.1 kg 4
d2caa2ef-c17a-43fd-955e-e92cba896976 Environmental → Ground → Non-agricultural EF 3.1 kg 4
93ec3a7c-f365-44d3-be0b-565cfd60fef7 Environmental → Ground → Unknown EF 3.1 kg 4
075b28ee-d48e-4494-81d3-f2fb9f109fc7 Environmental → Water → Long-term EF 3.1 kg 0
5aab020b-c5c8-47b4-972b-edece3c3c774 Environmental → Water → Ocean EF 3.1 kg 4
13df9b10-87ee-43a8-a69c-7e3a4eec6024 Environmental → Water → Surface water EF 3.1 kg 4
bfa17bce-4334-41ba-9a70-d84736a4786e 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-8d954c64b165aead",
  "prefLabel": [
    {
      "@value": "Isooctadecan-1-ol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Emery H 3600",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fine Oxocol 18T",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecanol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecyl alcohol",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isostearyl alcohol",
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      }
    },
    {
      "@value": "Jarcol I 18EX",
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    },
    {
      "@value": "Jarcol I-18CG",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prisorine ISOH 3515",
      "@language": "en",
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    },
    {
      "@value": "Risonol 18SP",
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    },
    {
      "@value": "Speziol C 18 Iso",
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    },
    {
      "@value": "Speziol C 18 ISOC",
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    },
    {
      "@value": "Witcohol 66",
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        "WNWHHMBRJJOGFJ-UHFFFAOYSA-N"
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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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  "parent_intervention_id": null,
  "@type": [
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}

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