Sodium acetate - PharmPure™, USP, ChP, FCC, E 262 , CAS No.127-09-3

CAS: 127-09-3 Cat. No.: GMP1527710 Molecular Weight: 82.03 EC Number: 204-823-8 PubChem CID: 517045

GRADE & PURITY PharmPure™, USP, ChP, FCC, E 262

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Specifications & Purity

PharmPure™, USP, ChP, FCC, E 262

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

ChP, E 262, FCC, PharmPure™, USP

Names and Identifiers

• Canonical Smiles: CC(=O)[O-].[Na+]
• IUPAC Name: sodium;acetate
• InChIKey: VMHLLURERBWHNL-UHFFFAOYSA-M
• INCHI: 1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• Isomeric SMILES: CC(=O)[O-].[Na+]
• PubChem CID: 517045
• Molecular Weight: 82.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid salts
          • Level6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid salts
• Direct Parent: Acetate salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetate salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.
• External Descriptors: organic sodium 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: 365g/L
• Sensitivity: Moisture sensitive
• Flash Point(°C): >250°C
• Melt Point(°C): 324°C
• Molecular Weight: 82.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 82.0031 Da
• Monoisotopic Mass: 82.0031 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 34.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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