Consensus flow list

Identity

Type
Neutral molecule
CAS
2425-77-6
EC
219-370-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-Hexyl-1-decanol

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XULHFMYCBKQGEE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-Hexyl-1-decanol
Molecular formula chemrof:molecular_formula C16H34O
Molecular mass chemrof:molecular_mass 242.447
Monoisotopic mass chemrof:monoisotopic_mass 242.260966, 242.26097
SMILES string chemrof:smiles_string CCCCCCCCC(CO)CCCCCC

Known URLs

13

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=2425-77-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183266 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.610 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.86034.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041265 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2399 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3560208 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/151Z7P1317 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.071D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=132011 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/95337 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363575 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27251672 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
72e1bc6e-4432-4630-b90b-e9219a44b8ab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
118c65b5-c8fd-4f9c-bb62-245c6dec2cd5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9922e757-d42b-43ce-a8e7-61b8531bd845 Environmental → Air → Indoor EF 3.1 kg 2
7eb17da2-6f3a-4fbe-b066-b1b0326d704b Environmental → Air → Long-term EF 3.1 kg 0
b5242570-60ff-4f59-8d64-11e039b996e5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9d455ed4-b33c-4ede-92cb-13e8677a2fe9 Environmental → Air → Unknown EF 3.1 kg 2
830f8812-fc51-4a99-9f81-2e093df5659c Environmental → Ground → Agricultural EF 3.1 kg 2
b69835a0-693b-4851-a839-c028bef3e8f8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
30531435-e6ca-4944-a97c-0960197e7f75 Environmental → Ground → Unknown EF 3.1 kg 2
79b37fed-fe46-4e2d-a8bd-07b01a66a297 Environmental → Water → Long-term EF 3.1 kg 0
a485185c-934b-4aad-98d3-4e2784cc0a94 Environmental → Water → Ocean EF 3.1 kg 2
6f377460-2d56-4d07-b0f4-91806640abdc Environmental → Water → Surface water EF 3.1 kg 2
1beefb43-4cbc-454e-8c5b-4bbaebd9bcf1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9a39ad54da8645ef",
  "prefLabel": [
    {
      "@value": "2-Hexyl-1-decanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Decanol, 2-hexyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-hexyldecan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2-Hexyldecanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hexyldecyl alcohol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Octyl-1-octanol",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Exxal 16",
      "@language": "en",
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      }
    },
    {
      "@value": "Guerbet C16",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Guerbet hexadecanol",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Guerbitol 16",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Hexyldecanol",
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    },
    {
      "@value": "Hexyldecyl alcohol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isofol 16",
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    },
    {
      "@value": "Jarcol I 16",
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    },
    {
      "@value": "NJCOL 160B",
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    },
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      "@value": "NJCOL 160BR",
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    {
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    },
    {
      "@value": "Rilanit G 16",
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    },
    {
      "@value": "Risonol 16SP",
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  "properties": {
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  "references": [
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