Potassium sorbate - analytical standard , CAS No.24634-61-5

CAS: 24634-61-5 Cat. No.: P103847 Molecular Weight: 150.22 Beilstein Registry Number: 5357554 EC Number: 246-376-1

GRADE & PURITY Analytical standard

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

Desiccated,Room temperature

Shipped In

Normal

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

analytical standard

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 504769612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769612
• 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

• 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

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