trans,trans-Muconic Acid - ≥98%(HPLC) , CAS No.3588-17-8

CAS: 3588-17-8 Cat. No.: T162087 Peso molecular: 142.11 Número EC: 222-724-8

GRADE & PURITY ≥98%(HPLC)

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

Room temperature

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504763687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763687
• Sonrisas canónicas: 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+
• Isómeros SMILES: C(=C/C(=O)O)\C=C\C(=O)O
• WGK Alemania: 3
• RTECS: MM2235070
• Peso molecular: 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
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in dimethyl sulfoxide and methanol.
• Punto de ebullición (°C): 320 °C
• Punto de fusión (°C): 290°C
• Peso molecular: 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

Referencias

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]