Sodium acetate trihydrate - Ph.Eur., Suitable for Analysis, ACS, Premium pure , CAS No.6131-90-4

CAS: 6131-90-4 Cat. No.: S433103 Formula: C₂H₃NaO₂·3H₂O Molecular Weight: 136.08 Beilstein Registry Number: 3732037 EC Number: 612-115-9 PubChem CID: 23665404

GRADE & PURITY Ph.Eur., Suitable for Analysis, ACS, Premium pure

Synonyms

Acetic acid, sodium salt, trihydrate | AKOS015904397 | SODIUM ACETATE [USP-RS] | D01779 | EN300-345872 | 4550K0SC9B | FT-0645115 | SODIUM ACETATE TRIHYDRATE [USP-RS] | sodium acetate. trihydrate | sodium acetatetrihydrate | sodium acetate-trihydrate | SOD

Storage

Room temperature

Shipped In

Normal

Overview

Other Notes

Enzyme substrate for acetate kinase (EC 2.7.2.1)

Specifications

Synonyms

Acetic acid, sodium salt, trihydrate | AKOS015904397 | SODIUM ACETATE [USP-RS] | D01779 | EN300-345872 | 4550K0SC9B | FT-0645115 | SODIUM ACETATE TRIHYDRATE [USP-RS] | sodium acetate. trihydrate | sodium acetatetrihydrate | sodium acetate-trihydrate | SOD

Specifications & Purity

Ph.Eur., Suitable for Analysis, ACS, Premium pure

Storage

Room temperature

Shipped In

Normal

Grade

ACS, Ph.Eur., Premium pure, Suitable for Analysis

Names and Identifiers

Canonical Smiles

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

IUPAC Name

sodium;acetate;trihydrate

InChIKey

AYRVGWHSXIMRAB-UHFFFAOYSA-M

INCHI

1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1

Isomeric SMILES

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

WGK Germany

1

RTECS

AJ4580000

PubChem CID

23665404

Molecular Weight

136.08

Beilstein

3732037

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: hydrate

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: 613g/L
• Melt Point(°C): 58°C
• Molecular Weight: 136.080 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 136.035 Da
• Monoisotopic Mass: 136.035 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 8
• 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: 5

XLogP3

Frequently Asked Questions

What does Ph.Eur. mean?

Ph.Eur. indicates that the material complies with the published monographs of the relevant pharmacopoeia (Ph.Eur.). Specifications include identity, assay, impurity limits, residual solvents and other tests defined in the monograph. Ph.Eur.-compliant material is suitable for pharmacopoeia-compliant pharmaceutical use, including pharmaceutical manufacturing, QC and regulatory submission.

What does Suitable for Analysis mean?

Suitable for Analysis is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Suitable for Analysis is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6131-90-4, the molecular formula is C2H3NaO2·3H2O, and the molecular weight is 136.08 g/mol. InChIKey AYRVGWHSXIMRAB-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.