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| CAS No.: | 4331-54-8 |
|---|---|
| Name: | 4-Methylcyclohexanecarboxylic acid |
| Molecular Structure: | |
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| Formula: | C8H14O2 |
| Molecular Weight: | 142.198 |
| Synonyms: | 4-Methylcyclohexanecarboxylicacid;p-Methylcyclohexanecarboxylic acid; |
| EINECS: | 224-369-4 |
| Density: | 1.025 g/cm3 |
| Melting Point: | 110 °C |
| Boiling Point: | 247.5 °C at 760 mmHg |
| Flash Point: | 110.7 °C |
| Hazard Symbols: |
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| Risk Codes: | R22;R36 |
| Safety: | S26 |
| PSA: | 37.30000 |
| LogP: | 1.89730 |
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Specification
The 4-Methylcyclohexanecarboxylic acid with its cas register number is 4331-54-8. It also can be called as trans-4-Methyl-1-cyclohexanecarboxylic acid and the IUPAC Name about this chemical is 4-methylcyclohexane-1-carboxylic acid. It belongs to the following product categories, such as 4-Alkylcyclohexanecarboxylic Acids (Building Blocks for Liquid Crystals), 4-Substituted Cyclohexanecarboxylic Acids, Building Blocks for Liquid Crystals, Functional Materials, C8, Carbonyl Compounds, Carboxylic Acids and so on.
Physical properties about 4-Methylcyclohexanecarboxylic acid are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 7.9; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 103.48; (7)ACD/KOC (pH 7.4): 1.81; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.467; (13)Molar Refractivity: 38.48 cm3; (14)Molar Volume: 138.6 cm3; (15)Polarizability: 15.25x10-24cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Enthalpy of Vaporization: 53.37 kJ/mol; (18)Vapour Pressure: 0.00825 mmHg at 25°C.
Uses of 4-Methylcyclohexanecarboxylic acid: it can be used to produce 4-methyl-cyclohexanecarboxylic acid. It will need reagent hydrogen, glacial acetic acid and platinum black.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCC(CC1)C(=O)O
(2)InChI: InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
(3)InChIKey: QTDXSEZXAPHVBI-UHFFFAOYSA-N