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HomeProduct name list1,4-Cyclohexanedicarboxylic acid

1,4-Cyclohexanedicarboxylic acid

Synonym(s):1,4-CHDA-HP

  • CAS NO.:1076-97-7
  • Empirical Formula: C8H12O4
  • Molecular Weight: 172.18
  • MDL number: MFCD00001465
  • EINECS: 214-068-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-25 23:13:37
1,4-Cyclohexanedicarboxylic acid Structural

What is 1,4-Cyclohexanedicarboxylic acid?

Chemical properties

white fine crystalline powder

The Uses of 1,4-Cyclohexanedicarboxylic acid

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

Definition

ChEBI: 1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4.

General Description

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

Flammability and Explosibility

Non flammable

Properties of 1,4-Cyclohexanedicarboxylic acid

Melting point: 164-167 °C(lit.)
Boiling point: 262.49°C (rough estimate)
Density  1.2104 (rough estimate)
refractive index  1.4450 (estimate)
Flash point: 235°C
storage temp.  Sealed in dry,Room Temperature
form  Powder
pka 4.38±0.10(Predicted)
color  White to off-white
Water Solubility  SOLUBLE
BRN  1870377
InChI 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)
CAS DataBase Reference 1076-97-7(CAS DataBase Reference)
NIST Chemistry Reference 1,4-Cyclohexanedicarboxylic acid(1076-97-7)
EPA Substance Registry System 1,4-Cyclohexanedicarboxylic acid (1076-97-7)

Safety information for 1,4-Cyclohexanedicarboxylic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for 1,4-Cyclohexanedicarboxylic acid

InChIKey PXGZQGDTEZPERC-UHFFFAOYSA-N
SMILES C1(C(O)=O)CCC(C(O)=O)CC1

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