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| CAS No.: | 589-91-3 |
|---|---|
| Name: | 4-Methylcyclohexanol |
| Molecular Structure: | |
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| Formula: | C7H14O |
| Molecular Weight: | 114.188 |
| Synonyms: | 1-Methyl-4-cyclohexanol;4-Methyl-1-cyclohexanol;4-Methylcyclohexanol;4-Methylcyclohexyl alcohol;NSC3714; |
| EINECS: | 209-664-8 |
| Density: | 0.925 g/cm3 |
| Melting Point: | -41 °C |
| Boiling Point: | 170.3 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Solubility: | slightly soluble in water |
| Appearance: | clear colourless to yellowish viscous liquid |
| Risk Codes: | 20 |
| Safety: | 24/25 |
| Transport Information: | 2617 |
| PSA: | 20.23000 |
| LogP: | 1.55740 |
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Specification
The CAS register number of 4-Methylcyclohexanol is 589-91-3. It also can be called as Cyclohexanol, 4-methyl- and the IUPAC name about this chemical is 4-methylcyclohexan-1-ol. The molecular formula about this chemical is C7H14O and the molecular weight is 114.19. This chemical can be used as a solvent in rubber, oil, resin, wax and paint etc., but also it can be used as lubricant antioxidants. This chemical is harmful by inhalation. When you are using it, please avoid contact with skin and eyes.
Physical properties about 4-Methylcyclohexanol are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.55; (5)ACD/BCF (pH 7.4): 14.55; (6)ACD/KOC (pH 5.5): 236.62; (7)ACD/KOC (pH 7.4): 236.62; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 33.96 cm3; (14)Molar Volume: 123.4 cm3; (15)Polarizability: 13.46x10-24cm3; (16)Surface Tension: 28.9 dyne/cm; (17)Flash Point: 70 °C; (18)Enthalpy of Vaporization: 47.36 kJ/mol; (19)Boiling Point: 170.3 °C at 760 mmHg; (20)Vapour Pressure: 0.475 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(C)CC1
(2)InChI: InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
(3)InChIKey: MQWCXKGKQLNYQG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
(5)Std. InChIKey: MQWCXKGKQLNYQG-UHFFFAOYSA-N