Disodium Fumarate - ≥98%(T) , CAS No.17013-01-3

CAS: 17013-01-3 Cat. No.: D154295 Molecular Weight: 160.04 Beilstein Registry Number: 1636530 EC Number: 241-087-7

GRADE & PURITY ≥98%(T)

Synonyms

Q836457 | Disodium fumarate | di-sodium fumarate | Cetyl pyridinium chloride | disodium (2E)-but-2-enedioate | DTXSID10168802 | EINECS 241-087-7 | Fumaran sodny [Czech] | Fumaric acid disodium salt | SCHEMBL52801 | DISODIUM FUMARATE [INCI] | FUMARIC ACID,

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

application：

Sodium fumarate is used as an acidity regulator in food processing and as terminal electron acceptors in the cultivation of certain anaerobic microorganisms. It is also used as a buffering agent and pH adjuster in cosmetic and personal care products. Further, it is used as a food additive.

Specifications

Synonyms

Q836457 | Disodium fumarate | di-sodium fumarate | Cetyl pyridinium chloride | disodium (2E)-but-2-enedioate | DTXSID10168802 | EINECS 241-087-7 | Fumaran sodny [Czech] | Fumaric acid disodium salt | SCHEMBL52801 | DISODIUM FUMARATE [INCI] | FUMARIC ACID,

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504764090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764090
• Canonical Smiles: C(=CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;(E)-but-2-enedioate
• InChIKey: MSJMDZAOKORVFC-SEPHDYHBSA-L
• INCHI: 1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+
• Isomeric SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: LL8925000
• Molecular Weight: 160.04
• Beilstein: 1636530
• Reaxy-Rn: 7727150
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7727150&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

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.
• Sensitivity: Moisture sensitive
• Flash Point(°F): 325.4 °F
• Flash Point(°C): 163 °C
• Molecular Weight: 160.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 159.975 Da
• Monoisotopic Mass: 159.975 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Chen Na, Du Na, Shen Ruichen, He Tianpei, Xi Jing, Tan Jie, Bian Guangkai, Yang Yanbing, Liu Tiangang, Tan Weihong, Yu Lilei, Yuan Quan.  (2023)  Redox signaling-driven modulation of microbial biosynthesis and biocatalysis.  Nature Communications,  14  (1): (1-13).  [PMID:37884498] [10.1038/s41467-023-42561-3]

2. Yiming Liu, Mingrui Zhang, Jingjing Zhao, Yongshuo Ren, Shubin Li, Weichen Wang, Wei Mu, Xiaojun Han.  (2025)  Construction of a De Novo Nucleotide Biosynthesis Pathway in Artificial Cells for RNA Transcription.  Journal of the American Chemical Society,      [PMID:40708544] [10.1021/jacs.5c09375]