Consensus flow list

Identity

Type
Neutral molecule
CAS
34316-64-8
EC
251-932-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexyl Laurate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMBYOWLFQAFZCP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3
IUPAC name chemrof:IUPAC_name Hexyl Laurate
Molecular formula chemrof:molecular_formula C18H36O2
Molecular mass chemrof:molecular_mass 284.484
Monoisotopic mass chemrof:monoisotopic_mass 284.27153
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OCCCCCC

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=34316-64-8 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88837 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.196 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6067830 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4CG9F9W01Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061946 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J115.173H enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010466 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4111 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83758 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94454 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1367126 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27160826 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ef5f071d-255a-424c-a18b-ce442c98013e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
93daf9ee-a0a6-43b2-b271-a09df187d70f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ddf51f62-4dce-4135-a258-948edff711e3 Environmental → Air → Indoor EF 3.1 kg 4
879cbf46-ed82-4d03-b520-9c7f971369d1 Environmental → Air → Long-term EF 3.1 kg 0
320f3734-d516-42e8-b486-c5ca3cf758f1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0e7fc2c8-5b6e-4c7e-95cf-14f751b902fc Environmental → Air → Unknown EF 3.1 kg 4
1df360ad-edfc-4422-ac8d-21f129e5de96 Environmental → Ground → Agricultural EF 3.1 kg 4
03d90934-afb2-4a56-856b-aef9fd978d59 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c9d13c1b-842e-41fa-8a1e-fb354873cfb2 Environmental → Ground → Unknown EF 3.1 kg 4
76a9360b-10eb-4337-8d5c-11b7863c3be6 Environmental → Water → Long-term EF 3.1 kg 0
0dead84b-696a-4e9f-a418-9d49582b3743 Environmental → Water → Ocean EF 3.1 kg 4
4262588a-62fc-4246-a873-44a95962a44d Environmental → Water → Surface water EF 3.1 kg 4
3ed67d13-e21a-468e-ae77-90b7620ac988 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
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=34316-64-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "251-932-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-932-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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