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CAS No.: | 932-01-4 |
---|---|
Name: | 4,4-DIMETHYLCYCLOHEXAN-1-OL |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H16O |
Molecular Weight: | 128.214 |
Synonyms: | 4,4-Dimethylcyclohexanol;4,4-dimethylcyclohexanol;cyclohexanol, 4,4-dimethyl-; |
Density: | 0.904 g/cm3 |
Melting Point: | 28 °C |
Boiling Point: | 185.999 °C at 760 mmHg |
Flash Point: | 66.551 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 20.23000 |
LogP: | 1.94750 |
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The 4,4-Dimethylcyclohexan-1-ol, with the CAS registry number 932-01-4, has the systematic name of 4,4-dimethylcyclohexanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H16O.
The characteristics of 4,4-Dimethylcyclohexan-1-ol are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.198; (4)ACD/LogD (pH 7.4): 2.198; (5)ACD/BCF (pH 5.5): 27.583; (6)ACD/BCF (pH 7.4): 27.583; (7)ACD/KOC (pH 5.5): 373.967; (8)ACD/KOC (pH 7.4): 373.967; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 38.582 cm3; (15)Molar Volume: 141.855 cm3; (16)Polarizability: 15.295×10-24cm3; (17)Surface Tension: 29.295 dyne/cm; (18)Density: 0.904 g/cm3; (19)Flash Point: 66.551 °C; (20)Enthalpy of Vaporization: 49.143 kJ/mol; (21)Boiling Point: 185.999 °C at 760 mmHg; (22)Vapour Pressure: 0.191 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1(CCC(CC1)O)C
(2)InChI: InChI=1/C8H16O/c1-8(2)5-3-7(9)4-6-8/h7,9H,3-6H2,1-2H3
(3)InChIKey: VUQOIZPFYIVUKD-UHFFFAOYAJ