trans,trans-Muconic Acid - 10mM in DMSO , CAS No.3588-17-8

CAS: 3588-17-8 Cat. No.: T423615 Molecular Weight: 142.11 EC Number: 222-724-8

GRADE & PURITY 10mM in DMSO

Synonyms

Hexa-2,4-dien-disaeure | (E,E)-2,4-hexadienedioic acid | Muconic acid, trans,trans- | trans, trans-Muconic acid | Hexa-2,4-dienedioic acid | (2E,4E)-2,4-Hexadienedioic acid | 2,4-HEXADIENEDIOIC ACID, TRANS,TRANS | 2,5-dihydro-1??-thiophene-1,1-dione | cis

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Hexa-2, 4-dien-disaeure | (E, E)-2, 4-hexadienedioic acid | Muconic acid, trans, trans- | trans, trans-Muconic acid | Hexa-2, 4-dienedioic acid | (2E, 4E)-2, 4-Hexadienedioic acid | 2, 4-HEXADIENEDIOIC ACID, TRANS, TRANS | 2, 5-dihydro-1??-thiophene-1, 1-dione | cis

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C(=CC(=O)O)C=CC(=O)O
• IUPAC Name: (2E,4E)-hexa-2,4-dienedioic acid
• InChIKey: TXXHDPDFNKHHGW-ZPUQHVIOSA-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
• RTECS: MM2235070
• Molecular Weight: 142.11
• 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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 320 °C
• Melt Point(°C): 290°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. Cheng Chen, Yu Zhao, Ting Lei, Dingming Yang, Yanfang Zhou, Jiawei Zeng, Ruzhen Xie, Wenyuan Hu, Faqin Dong.  (2022)  Photocatalytic mechanism conversion of titanium dioxide induced via surface interface coordination.  CHEMOSPHERE,      [PMID:36209860] [10.1016/j.chemosphere.2022.136745]

2. Bei Liu, Mingxing Zhou, Zhinan Wu, Xulong Song, Tong Zhou, Shipeng Cao, Chongjian Jiang, Xinwei Zhang, Xiwen Zhang, Liwen Mu, Han Lin, Xiaohua Lu, Tuo Ji, Shuandi Hou, Jiahua Zhu.  (2025)  Engineering stable TEPA networks within confined pores for efficient CO2 capture.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136030]