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CAS No.: | 42822-86-6 |
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Name: | p-Menthane-3,8-diol |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C10H20O2 |
Molecular Weight: | 172.268 |
Synonyms: | p-Menthane-3,8-diol(7CI);1-Hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane;1-Hydroxy-5-methyl-2-(1-methyl-1-hydroxyethyl)cyclohexane;3,8-p-Menthanediol;Geranium cyclohexane;Geranodyle; |
EINECS: | 255-953-7 |
Density: | 1.009 g/cm3 |
Melting Point: | 82-83 °C |
Boiling Point: | 267.6 °C at 760 mmHg |
Flash Point: | 120.7 °C |
PSA: | 40.46000 |
LogP: | 1.55440 |
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The p-Menthane-3,8-diol with the CAS number 42822-86-6 is also called Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl-. The IUPAC name is 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol. Its molecular formula is C10H20O2. The EINECS registry number is 255-953-7.
The properties of the p-Menthane-3,8-diol are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.51; (6)ACD/BCF (pH 7.4): 6.51; (7)ACD/KOC (pH 5.5): 133.11; (8)ACD/KOC (pH 7.4): 133.11; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 49.06 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 19.45×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 58.71 kJ/mol; (19)Vapour Pressure: 0.00109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C1CCC(CC1O)C)(C)C
(2)InChI: InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
(3)InChIKey: LMXFTMYMHGYJEI-UHFFFAOYAL