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: 2024-08-12 15:55:19
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) |
 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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