Mesaconic Acid - ≥98%(T) , CAS No.498-24-8

CAS: 498-24-8 Cat. No.: M158069 Summenformel: C₅H₆O₄ Molekulargewicht: 130.1 EG-Nummer: 207-859-2

GRADE & PURITY ≥98%(T)

Synonyms

(E)-2-Methyl-2-butenedioic acid | 2-Methylfumaric acid | BRN 1722680 | (E)-2-methyl-but-2-enedioic acid | (E)-2-methylbut-2-enedioic acid | 2-methyl-2E-butenedioic acid | (E)-Citraconate | Citronic acid; Methylfumaric acid | WLN: QVY1&U1VQ | (2E)-2-METHYL

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(E)-2-Methyl-2-butenedioic acid | 2-Methylfumaric acid | BRN 1722680 | (E)-2-methyl-but-2-enedioic acid | (E)-2-methylbut-2-enedioic acid | 2-methyl-2E-butenedioic acid | (E)-Citraconate | Citronic acid; Methylfumaric acid | WLN: QVY1&U1VQ | (2E)-2-METHYL

Spezifikationen & Reinheit

≥98%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

• Pubchem Sid: 488190875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190875
• Kanonisches Lächeln: CC(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-2-methylbut-2-enedioic acid
• InChIKey: HNEGQIOMVPPMNR-NSCUHMNNSA-N
• INCHI: 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
• Isomere SMILES: C/C(=C\C(=O)O)/C(=O)O
• Molekulargewicht: 130.1
• Reaxy-Rn: 8403179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8403179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Ebene5 Branched fatty acids
          • Ebene6 Methyl-branched fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
• External Descriptors: Dicarboxylic acids

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 200-202 °C
• Molekulargewicht: 130.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 130.027 Da
• Monoisotopic Mass: 130.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 168.000
• 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: 1

Referenzen

1. Nei Wu, Yuling Yang, Jianming Xu, Haizhen Wang.  (2025)  Divergent genomic characteristics and convergent metabolic phenotypes associated with Cd tolerance and soil Cd immobilization in multifunctional bacteria.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41485336] [10.1016/j.jhazmat.2025.141004]

Häufig gestellte Fragen

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 498-24-8, the molecular formula is C5H6O4, and the molecular weight is 130.1 g/mol. InChIKey HNEGQIOMVPPMNR-NSCUHMNNSA-N.

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.