Poly(ethylene adipate) - Molecular Weight: ~ 1000 , CAS No.24938-37-2

CAS: 24938-37-2 Cat. No.: P341826 EC Number: 607-461-2 PubChem CID: 6454865

GRADE & PURITY Molecular Weight: ~ 1000

Synonyms

EINECS 264-851-1 | ethane-1,2-diol;hexanedioic acid | Hexanedioic acid, ester with 1,2-ethanediol | DTXSID80214582 | SCHEMBL206256

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 264-851-1 | ethane-1, 2-diol;hexanedioic acid | Hexanedioic acid, ester with 1, 2-ethanediol | DTXSID80214582 | SCHEMBL206256

Specifications & Purity

Molecular Weight: ~ 1000

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488195824
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195824
• Canonical Smiles: C(CCC(=O)O)CC(=O)O.C(CO)O
• IUPAC Name: ethane-1,2-diol;hexanedioic acid
• InChIKey: FZWBABZIGXEXES-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4.C2H6O2/c7-5(8)3-1-2-4-6(9)10;3-1-2-4/h1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2
• Isomeric SMILES: C(CCC(=O)O)CC(=O)O.C(CO)O
• PubChem CID: 6454865

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: Dicarboxylic acids and derivatives 1,2-diols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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: 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

• Molecular Weight: 208.210 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 208.095 Da
• Monoisotopic Mass: 208.095 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Minghao Zhang, Yijin Lu, Zhuo Wang, Xiong Gao, Xuanhang Luo, Xin Shen, Weixiang Wu, Qingqing Mei.  (2025)  Targeted conversion of waste PET into dimethyl terephthalate and ethylene carbonate under metal-free conditions.  Eco-Environment & Health,  4  (2): (100139).  [PMID:40224621] [10.1016/j.eehl.2025.100139]

2. Liujun YANG, Xianjun DENG, Renju LIU, Jianyang LI, Junyao ZHAI, Xiaoxiao MA, Shiyang YOU, Qinghao HE, Arthur K.L. LIN, Zongze SHAO, Hongyuan LU.  (2026)  A coupled fluorescence assay for high-throughput screening of polyurethane-degrading enzymes.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41671861] [10.1016/j.jhazmat.2026.141400]