trans-1,4-Cyclohexanedicarboxybic acid
- CAS NO.：619-82-9
- Empirical Formula: C8H12O4
- Molecular Weight: 172.18
- MDL number: MFCD00066203
- EINECS: 210-614-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-05 20:55:42
What is trans-1,4-Cyclohexanedicarboxybic acid?
Chemical properties
white to light yellow crystal powder
The Uses of trans-1,4-Cyclohexanedicarboxybic acid
It is a pharmaceutical intermediate.
Definition
ChEBI: 1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4.
Properties of trans-1,4-Cyclohexanedicarboxybic acid
| Melting point: | >300 °C(lit.) |
| Boiling point: | 262.49°C (rough estimate) |
| Density | 1.2104 (rough estimate) |
| refractive index | 1.4795 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | pK1:4.18 ;pK2:5.42 (16°C) |
| color | White to Almost white |
| Water Solubility | Soluble in hot methanol (almost transparency), ethanol, acetone. Slightly soluble in ether and water |
| 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)/t5-,6- |
| CAS DataBase Reference | 619-82-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,4-Cyclohexanedicarboxylic acid, trans-(619-82-9) |
Safety information for trans-1,4-Cyclohexanedicarboxybic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for trans-1,4-Cyclohexanedicarboxybic acid
| InChIKey | PXGZQGDTEZPERC-IZLXSQMJSA-N |
| SMILES | [C@@H]1(C(O)=O)CC[C@@H](C(O)=O)CC1 |
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