Consensus flow list

Identity

Type
Chemical salt
CAS
1984-06-1
EC
217-850-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium Octanoate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BYKRNSHANADUFY-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium Octanoate
Molecular formula chemrof:molecular_formula C8H15NaO2, C8H15O2.Na
Molecular mass chemrof:molecular_mass 166.196
Monoisotopic mass chemrof:monoisotopic_mass 166.09697, 166.096974
SMILES string chemrof:smiles_string CCCCCCCC(=O)[O-].[Na+]

Known URLs

19

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=1984-06-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132100 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.228 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027451 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL557076 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9XTM81VK2B enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303344 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.159A enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08999 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=142678 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74148 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23664772 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24470225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26393372 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26617041 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27126474 enrich_references.chebi_xrefs
reaxys reaxys:3597723 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311123 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q25473932 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
92e00634-9a38-4f63-b492-7456218e596b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ed79c26-6d8c-4004-8a7c-6f93f05b9268 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b00f1473-a7e3-426e-a631-612353e92347 Environmental → Air → Indoor EF 3.1 kg 2
fd041774-9dd5-49a8-8e20-da73712405f8 Environmental → Air → Long-term EF 3.1 kg 0
8796cb40-ac9f-43e4-88c5-d32499919115 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e0753755-0b93-47e6-8071-a5f9de926e0c Environmental → Air → Unknown EF 3.1 kg 2
0c30ac9a-62a3-47f9-b226-18662c178560 Environmental → Ground → Agricultural EF 3.1 kg 2
9b294682-581d-4338-8683-cab0431dd3f2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1268455a-c24f-424b-a7a3-72381f199b0a Environmental → Ground → Unknown EF 3.1 kg 2
62d6deef-d9be-4457-b7e5-ea18e4dc7e9e Environmental → Water → Long-term EF 3.1 kg 0
b44ef73f-11ca-4b78-ab59-02f82ac20a56 Environmental → Water → Ocean EF 3.1 kg 2
aa4911ea-8f42-4212-aec9-19c4706ad8e1 Environmental → Water → Surface water EF 3.1 kg 2
d2432678-d057-4164-a4fd-a264e7099fd2 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-8ca435ae529abdfd",
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      "@value": "Sodium Octanoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "Caprylic acid sodium salt",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Natrium octanoat",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Octanoic acid, sodium salt",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Octanoic acid, sodium salt (1:1)",
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    },
    {
      "@value": "Sodium caprylate",
      "@language": "en",
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      "provenance": {
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    },
    {
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    },
    {
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