Sodium Octanoate

Caprylic acid sodium salt
Natrium octanoat
Octanoic acid, sodium salt
Octanoic acid, sodium salt (1:1)
Sodium caprylate
Sodium n-octanoate
Sodium octoate

Property	Value
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+]

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	https://www.wikidata.org/wiki/Q25473932	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Sodium Octanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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