cis,cis-Muconic acid - ≥97%(HPLC) , CAS No.1119-72-8

CAS: 1119-72-8 Cat. No.: I132987 Molecular Weight: 142.11 Beilstein Registry Number: 1722246 EC Number: 628-830-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

cis,cis-2,4-Hexadienedioic acid | (2Z,4Z)-hexa-2,4-dienedioic acid

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

cis,cis-Muconic acid is a naturally-occurring organic acid. It is used in the manufacture of several widely-used consumer plastics. Its microbial production via extending shikimate pathway has been reported.

Specifications

Synonyms

cis, cis-2, 4-Hexadienedioic acid | (2Z, 4Z)-hexa-2, 4-dienedioic acid

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488195210
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195210
• Canonical Smiles: C(=CC(=O)O)C=CC(=O)O
• IUPAC Name: (2Z,4Z)-hexa-2,4-dienedioic acid
• InChIKey: TXXHDPDFNKHHGW-CCAGOZQPSA-N
• INCHI: 1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
• Isomeric SMILES: C(=C\C(=O)O)\C=C/C(=O)O
• WGK Germany: 3
• Molecular Weight: 142.11
• Beilstein: 1722246
• Reaxy-Rn: 1722248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722248&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 Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain 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
• 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: 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

Chemical and Physical Properties

• Solubility: Solubility in water: freely soluble in boiling water Solubility in other solvents: sparingly soluble in diethyl ether
• Sensitivity: Air sensitive
• Melt Point(°C): 194 - 195 °C
• Molecular Weight: 142.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 142.027 Da
• Monoisotopic Mass: 142.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 168.000
• 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: 1

References

1. Shi Hexian, Zhang Linfeng, Wu Yudong, Yu Rui, Peng Yang, Wang Yantao, Li Teng, Yang Weiran.  (2020)  Production of Adipic Acid Derivatives from d-Glucaric Acid by Hydrodeoxygenation Mediated with Hydroiodic Acid.  CATALYSIS LETTERS,  151  (2): (338-343).  [PMID:] [10.1007/s10562-020-03312-x]

2. Chenggu Cai, Pengju Huo, Pingxiang Zhong, Lei Ma, Zhaoxian Xu, Maozhi Ren, Zuoren Yang, Fuguang Li.  (2024)  Characterization of cottonseed hull lignin for valorizing it into value-added chemicals and materials.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.119666]

3. Hongli Chao, Jing Wang, Yi Wang, Jing Tian, Yi Yang.  (2026)  Artificial antibody-antigen-mediated lipase immobilization via a simplified affinity recognition strategy for biocatalytic flavor ester synthesis through transesterification.  FOOD CHEMISTRY,      [PMID:41687370] [10.1016/j.foodchem.2026.148383]

4. Dianjiang Yu, Haofeng Chen, Yang Zhang, Yueyang Chen, Hongwei Chen, Shujin Lin, Junyi Wang, Haoyi Yang, Xueping Ling, Ning He, Jifeng Yuan.  (2026)  Biosensor-guided indexing of genome evolution for boosting microbial chemical synthesis.  TRENDS IN BIOTECHNOLOGY,      [PMID:41741258] [10.1016/j.tibtech.2025.12.019]