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| CAS No.: | 1490-04-6 |
|---|---|
| Name: | DL-Menthol |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C10H20O |
| Molecular Weight: | 156.268 |
| Synonyms: | Menthol(8CI);1-Methyl-4-isopropyl-3-cyclohexanol;2-Isopropyl-5-methylcyclohexan-1-ol;2-Isopropyl-5-methylcyclohexanol;3-Hydroxy-p-menthane;5-Methyl-2-(1-methylethyl)cyclohexanol;5-Methyl-2-isopropylcyclohexanol;Menthyl alcohol;p-Menthan-3-ol; |
| EINECS: | 216-074-4 |
| Density: | 0.89 g/cm3 |
| Melting Point: | 34-36 °C(lit.) |
| Boiling Point: | 215.383 °C at 760 mmHg |
| Flash Point: | 93.333 °C |
| Appearance: | colourless crystals |
| Hazard Symbols: |
 Xn,  Xi
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| Risk Codes: | 37/38-41-48/20/22-40-22 |
| Safety: | 36/37/39-36-26 |
| Transport Information: | UN 1888 6.1/PG 3 |
| PSA: | 20.23000 |
| LogP: | 2.43950 |
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Specification
The IUPAC name of Cyclohexanol,5-methyl-2-(1-methylethyl)- is 5-methyl-2-propan-2-ylcyclohexan-1-ol. With the CAS registry number 1490-04-6 and EINECS 216-074-4, it is also named as 2-Isopropyl-5-methylcyclohexanol. The product'a categories are Alphabetic; NMR Reference Standards; NMR Stable Isotopes; Spectroscopy. It is colourless crystals which is stable, combustible and incompatible with strong oxidizing agents. In addition, this chemical is an alcohol produced from mint oils or prepared synthetically.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.216; (4)ACD/LogD (pH 7.4): 3.216; (5)ACD/BCF (pH 5.5): 163.88; (6)ACD/BCF (pH 7.4): 163.88; (7)ACD/KOC (pH 5.5): 1338.956; (8)ACD/KOC (pH 7.4): 1338.956; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 47.833 cm3; (15)Molar Volume: 175.542 cm3; (16)Surface Tension: 29.706 dyne/cm; (17)Enthalpy of Vaporization: 52.536 kJ/mol; (18)Vapour Pressure: 0.032 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 156.151415; (21)MonoIsotopic Mass: 156.151415; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 11; (24)Complexity: 120.
Uses of Cyclohexanol,5-methyl-2-(1-methylethyl)-: It can react with acetoacetic acid ethyl ester to get acetoacetic acid menthyl ester. This reaction needs catalytic agent [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 and solvent toluene by heating. The reaction time is 6 hours. The yield is 96%.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and if swallowed, burt also irritating to eyes and skin. It also has limited evidence of a carcinogenic effect and has danger of serious damage to health by prolonged exposure. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:CC1CCC(C(C1)O)C(C)C
2. InChI:InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
3. InChIKey:NOOLISFMXDJSKH-UHFFFAOYAE