1,4-Cyclohexanedicarboxylic acid - ≥99%, mixture of cis- and trans-, used for 1,4-Cyclohexanedicarboxylic acid may be used in the synthesis of: polyesters polyamides poly(butylene adipate-co-butylene 1,4-cyclohexanedicarboxylate) copolyester various polye

CAS: 1076-97-7 Cat. No.: C100837 Formula: C₈H₁₂O₄ Peso molecolare: 172.18 Numero EC: 214-068-6

GRADE & PURITY ≥99%, mixture of cis- and trans-

Synonyms

AMY14439 | cyclohexane-1,4-dicarboxylic acid | FT-0623871 | A937154 | AKOS006239068 | trans-1,4-Cyclohexyldicarboxylic acid | F8889-8705 | cis-Cyclohexane-1,4-dicarboxylicacid | STK286097 | SY011569 | UNII-68QED0R44U | 1,4-Cyclohexanedicarboxylic acid, ci

Storage

Room temperature

Shipped In

Normal

Panoramica

1,4-Cyclohexanedicarboxylic acid (1,4-CHDA)[1] has cyclohexane based structure. CHDA has better weatherability, higher impact strength, and faster stress relaxation. CHDA exhibits three isomeric forms: . axial, axial (a,a) trans-isomer . equatorial, equatorial (e,e) trans-isomer . a,e cis-isomer
1,4-Cyclohexanedicarboxylic acid may be used in the synthesis of: . polyesters . polyamides . poly(butylene adipate-co-butylene 1,4-cyclohexanedicarboxylate) copolyester . various polyester polyols

1,4-Cyclohexanedicarboxylic acid (1,4-CHDA) has cyclohexane based structure. CHDA has better weatherability, higher impact strength, and faster stress relaxation. CHDA exhibits three isomeric forms: 

axial, axial (a,a) trans-isomer

equatorial, equatorial (e,e)

trans-isomer a,e cis-isomer

Specifications

Sinonimi

AMY14439 | cyclohexane-1,4-dicarboxylic acid | FT-0623871 | A937154 | AKOS006239068 | trans-1,4-Cyclohexyldicarboxylic acid | F8889-8705 | cis-Cyclohexane-1,4-dicarboxylicacid | STK286097 | SY011569 | UNII-68QED0R44U | 1,4-Cyclohexanedicarboxylic acid, ci

Specifiche e purezza

≥99%, mixture of cis- and trans-

Applicazione

1,4-Cyclohexanedicarboxylic acid may be used in the synthesis of: polyesters polyamides poly(butylene adipate-co-butylene 1,4-cyclohexanedicarboxylate) copolyester various polyester polyols

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488181942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181942
• Sorrisi canonici: C1CC(CCC1C(=O)O)C(=O)O
• IUPAC Name: cyclohexane-1,4-dicarboxylic acid
• InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N
• INCHI: 1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
• Isomeri SMILES: C1CC(CCC1C(=O)O)C(=O)O
• WGK Germania: 3
• RTECS: GU9060000
• Peso molecolare: 172.18
• Reaxy-Rn: 1870377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in Methanol very faint turbidity
• Punto di infiammabilità (°F): 455°F
• Punto di infiammabilità (°C): 235°
• Punto di fusione (°C): 164-167°C
• Peso molecolare: 172.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.074 Da
• Monoisotopic Mass: 172.074 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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: 1

Riferimenti

1. Huan Wang, Zhengzai Cheng, Lesly Dasilva Wandji Djouonkep, Linfeng Wang, Shuanpu Cai, Mario Gauthier.  (2023)  Synthesis and properties of biodegradable aliphatic–aromatic polyesters derived from 4-hydroxybenzaldehyde.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (29): (e54063).  [PMID:] [10.1002/app.54063]

2. Lianghui Gong, Shuaipeng Wang, Jingyuan Hu, Haoyang Feng, Li Zhang, Jinyue Dai, Xiaoqin Liu.  (2022)  A novel bio-based degradable, reinforced vitrimer regulated by intramolecular hydrogen bonding.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2022.107384]

3. Shuwei Cai, Shuzhong Wang, Dongxu Wei, Haijun Niu, Wen Wang, Xuduo Bai.  (2018)  Multifunctional polyamides containing pyrrole unit with different triarylamine units owning electrochromic, electrofluorochromic and photoelectron conversion properties.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2018.01.039]

4. Chi Dequan, Liu Fei, Hao Chuncheng, Chen Jing, Na Haining, Zhu Jin.  (2018)  Identification of side chain effect as an important factor influencing the secondary relaxation of polyesters containing cyclohexylene ring.  JOURNAL OF MATERIALS SCIENCE,  53  (8): (6239-6250).  [PMID:] [10.1007/s10853-017-1984-7]

5. Guofeng Liu, Jinying Liu, Chuanliang Feng, Yanli Zhao.  (2017)  Unexpected right-handed helical nanostructures co-assembled from L-phenylalanine derivatives and achiral bipyridines.  Chemical Science,  8  (3): (1769-1775).  [PMID:29780452] [10.1039/C6SC04808K]

6. Xiuling Feng, Wanping Chen, Bolin Xiang.  (2016)  Syntheses, crystal structures and luminescent properties of two new Zn(II) coordination polymers based on a dicarboxylate and different imidazole-containing ligands.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2016.1179289]

7. Tang Hao, Zhang Man, Zhu Yuye, Chen Xuankai, Liu Dekai, Jiang Pingping, Shen Yirui.  (2024)  Facile one-step synthesis of three-dimensional network-structured polyester plasticizers with superior migration resistance in poly(vinyl chloride).  JOURNAL OF MATERIALS SCIENCE,  59  (35): (16472-16485).  [PMID:] [10.1007/s10853-024-10140-6]

8. Chen Chen, Xiaoyue Yuan, Chunlei Zhu, Zonglin Qiu, Yang Wang, Xin Li, Yuancheng Zhang, Xiaomeng Zhang, Wei Zhao, Peng Fu, Zhe Cui, Xinchang Pang, Minying Liu.  (2026)  Unveiling the Trans-Cis Isomerization Mechanism in Alicyclic PA10C: the Vital Role of Water Cluster and Hydrogen Bonds.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2026.114633]