Potassium sorbate - ≥99%(T) , CAS No.24634-61-5

CAS: 24634-61-5 Cat. No.: P103845 Formula: C₆H₇KO₂ Molecular Weight: 150.22 Beilstein Registry Number: 5357554 EC Number: 246-376-1

GRADE & PURITY ≥99%(T)

Synonyms

POTASSIUM SORBATE (EP IMPURITY) | Sorbistat-potassium | 2,4-Hexadienoic acid potassium salt, (E,E)- | 2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)- | DTXCID207835 | Potassium (e,e')-sorbate | Potassium (E,E)-sorbate | EINECS 246-376-1 | POTASSIUM S

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

orbates have been reported to be less toxic than benzoate and have been classified as “Generally Recognized as Safe” (GRAS) additives by the U.S. Food and Drug Administration (FDA).Sorbic acid is metabolised to mainly to carbon dioxide. While the minor amounts are converted to trans,trans-muconic acid (ttMA), which is excreted unchanged into the urine. Urinary ttMA is a biomarker for the occupational and environmental exposure to benzene. Ability of trans,trans-2,4-Hexadienoic acid potassium salt (Sorbic acid potassium salt, Potassium sorbate) to induce chromosome aberrations, sister chromatid exchanges (SCE) and gene mutations in cultured Chinese hamster V79 cells has been examined.Potassium sorbate is reported to be less genotoxic than the sodium salt analog.
Sorbic acid and its potassium salt is commonly employed as food preservative in wide range of foodstuffs, such as cheese, pickles, sauces and wines.

Specifications

Synonyms

POTASSIUM SORBATE (EP IMPURITY) | Sorbistat-potassium | 2,4-Hexadienoic acid potassium salt, (E,E)- | 2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)- | DTXCID207835 | Potassium (e,e')-sorbate | Potassium (E,E)-sorbate | EINECS 246-376-1 | POTASSIUM S

Specifications & Purity

≥99%(T)

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

Pubchem Sid

488200492

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200492

Canonical Smiles

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

IUPAC Name

potassium;(2E,4E)-hexa-2,4-dienoate

InChIKey

CHHHXKFHOYLYRE-STWYSWDKSA-M

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

C/C=C/C=C/C(=O)[O-].[K+]

WGK Germany

1

RTECS

WG2170000

Molecular Weight

150.22

Beilstein

5357554

Reaxy-Rn

6087234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6087234&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: potassium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, propylene glycol. Slightly soluble in acetoneand chloroform, corn oil and ether. Insoluble in benzene.
• Melt Point(°C): >270°C
• Molecular Weight: 150.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.008 Da
• Monoisotopic Mass: 150.008 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3