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| CAS No.: | 3685-22-1 |
|---|---|
| Name: | TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C7H12O3 |
| Molecular Weight: | 144.17 |
| Synonyms: | cis-4-Hydroxycyclohexanecarboxylic acid;cis-4-Hydroxycyclohexane-1-carboxylicacid; |
| Density: | 1.246 g/cm3 |
| Melting Point: | 150 °C |
| Boiling Point: | 307.898 °C at 760 mmHg |
| Flash Point: | 154.234 °C |
| Hazard Symbols: | T |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 57.53000 |
| LogP: | 0.62210 |
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Specification
The cis-4-Hydroxycyclohexane carboxylic acid, with the CAS registry number 3685-22-1, is also known as cis-4-Hydroxycyclohexane-1-carboxylicacid. It belongs to the product categories of 4-Substituted Cyclohexanecarboxylic Acids. This chemical's molecular formula is C7H12O3 and molecular weight is 144.17. What's more, its systematic name is cis-4-Hydroxycyclohexanecarboxylic acid.
Physical properties about cis-4-Hydroxycyclohexane carboxylic acid are: (1) ACD/LogP: 0.11; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1; (4) ACD/LogD (pH 7.4): -2; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 5; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 57.53 Å2; (13) Index of Refraction: 1.523; (14) Molar Refractivity: 35.368 cm3; (15) Molar Volume: 115.69 cm3; (16) Polarizability: 14.021×10-24 cm3; (17) Surface Tension: 55.578 dyne/cm; (18) Density: 1.246 g/cm3; (19) Flash Point: 154.234 °C; (20) Enthalpy of Vaporization: 63.611 kJ/mol; (21) Boiling Point: 307.898 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H]1CC[C@H](O)CC1
(2) InChI: InChI=1/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+
(3) InChIKey: HCFRWBBJISAZNK-OLQVQODUBV