Potassium propionate (CED0001450)

Record Information

Version

1.0

Creation Date

2016-05-25 23:05:44 UTC

Update Date

2026-04-17 16:49:30 UTC

Accession Number

CHEM026578

Identification

Common Name

Potassium propionate

Class

Small Molecule

Description

Potassium propionate is an organic compound with the chemical formula C3H5KO2 and an average molecular weight of 112.17 g/mol. Potassium propionate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is utilized as an industrial preservative. It is found in or released from six recorded sources across various sectors. In the category of household cleaning and consumer products, it is associated with tobacco product cases, pipe accessories, and tobacco product moisture control. Within the building and construction sector, it is found in tents or canopies. In the realm of electrical and electronic equipment, it is present in gas filled discharge tubes with solid cathode. Additionally, it is used in food, food processing and cookware for the preparation of vinegar.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Potassium propanoic acid	Generator
Potassium propionic acid	Generator

Chemical Formula

C₃H₅KO₂

Average Molecular Mass

112.169 g/mol

Monoisotopic Mass

111.993 g/mol

CAS Registry Number

327-62-8

IUPAC Name

potassium propanoate

Traditional Name

potassium propionate

SMILES

[K+].CCC([O-])=O

InChI Identifier

InChI=1S/C3H6O2.K/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1

InChI Key

BWILYWWHXDGKQA-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic acid salts

Alternative Parents

Substituents

Carboxylic acid salt
Organic alkali metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic potassium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	247 g/L	ALOGPS
logP	0.34	ALOGPS
logP	0.48	ChemAxon
logS	0.34	ALOGPS
pKa (Strongest Acidic)	4.75	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.13 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	28.11 m³·mol⁻¹	ChemAxon
Polarizability	6.84 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-07vl-9200000000-1e29d30a3bd0034fa670	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-092c-9200000000-6fc94efc77fb38b6b034	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-9068f9d3819d2eee3f3e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1900000000-5e2575d46a505f5f6774	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-3900000000-253eb862e005e13d5d88	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9200000000-a73e31d1ae010f5d8109	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2561.0	Log mg/kg	[1400:4600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
503	Tents Or Canopies	Building & Construction	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
568	Tobacco Product Moisture Control	Household cleaning & consumer products	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	7.78492
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	631.357
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	877.049
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	100.27
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.233548
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	848.167
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	65.0041
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	4.28171
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	152.273
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	68.0402
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	28.8821
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	2704.33
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	75.0467
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	2470.7
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	2428.2
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3205.21
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	507.032
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	7.86277
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	4013.52
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	131.176
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	28.0257
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	1436.63
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	3791.02
Click to view 3D structure	Histidine biosynthesis bifunctional protein HisB	P06987	Escherichia coli O26:H11 str. CFSAN001629	Predicted (SEA)	21.4085