Consensus flow list

Potassium sorbate

fo-8455c84a8c426826

Identity

Type
Chemical salt
CAS
24634-61-5
EC
246-376-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Potassium sorbate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CHHHXKFHOYLYRE-STWYSWDKSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C/C=C/C(=O)[O-].[K+]
IUPAC name chemrof:IUPAC_name Potassium sorbate
Molecular formula chemrof:molecular_formula C6H7KO2, C6H7O2.K
Molecular mass chemrof:molecular_mass 150.218
Monoisotopic mass chemrof:monoisotopic_mass 150.00831, 150.008311
SMILES string chemrof:smiles_string CC=CC=CC(=O)[O-].[K+]

Known URLs

24

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=24634-61-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77868 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.130.671 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.816 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027835 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106930 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/potassium-sorbate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1VPU26JZZ4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303718 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2916.19.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.006E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J837K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D02411 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D02411 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77490 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23676745 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22985004 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23498172 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23790859 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24001567 enrich_references.chebi_xrefs
reaxys reaxys:5357554 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8606 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q410744 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Potassium_sorbate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
b0a09cb1-d0a2-41de-a60b-b9d4afb2113a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
92e8fb26-51ec-4eae-a215-d86b47a342a9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
125cf3c2-4d7a-4d9c-b19b-2ef50f269078 Environmental → Air → Indoor EF 3.1 kg 4
ebe7f405-9edd-4cfb-a18c-81b4e234b92f Environmental → Air → Long-term EF 3.1 kg 0
71f995bb-1db8-4129-8e89-6774dddb68ee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d1ea48f3-5953-413f-a840-4de8ed62991a Environmental → Air → Unknown EF 3.1 kg 4
a6d368ad-d04d-433a-b95e-856da873749a Environmental → Ground → Agricultural EF 3.1 kg 4
c6a0bf0f-b2c7-490e-9eb2-5941edba1691 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e744f55a-733f-4c67-895e-cb9fe9b27ece Environmental → Ground → Unknown EF 3.1 kg 4
dc663c02-ff31-4f66-956e-2f043d34be87 Environmental → Water → Long-term EF 3.1 kg 0
d7431561-1257-4b4d-8bcb-d804be495590 Environmental → Water → Ocean EF 3.1 kg 4
dabec9a1-849f-4f35-9fa2-f4777018b2e3 Environmental → Water → Surface water EF 3.1 kg 4
6d8d576b-978f-45a5-b44d-624d63ffe738 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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