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 Fórmula: C₈H₁₂O₄ Peso molecular: 172.18 Número 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%, mixture of cis- and trans-

Aplicación

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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488181942

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181942

Sonrisas canónicas

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)

Isómeros SMILES

C1CC(CCC1C(=O)O)C(=O)O

WGK Alemania

3

RTECS

GU9060000

Peso molecular

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
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol very faint turbidity
• Punto de inflamación (°F): 455°F
• Punto de inflamación (°C): 235°
• Punto de fusión (°C): 164-167°C
• Peso molecular: 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