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| CAS No.: | 702-81-8 |
|---|---|
| Name: | 3-Methyl-1-adamantanol |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C11H18O |
| Molecular Weight: | 166.263 |
| Synonyms: | 1-Adamantanol,3-methyl- (7CI,8CI);1-Hydroxy-3-methyladamantane;3-Methyl-1-adamantanol;3-Methyl-1-hydroxyadamantane; |
| Density: | 1.139 g/cm3 |
| Melting Point: | 130-131℃ |
| Boiling Point: | 245.1 °C at 760 mmHg |
| Flash Point: | 100.8 °C |
| PSA: | 20.23000 |
| LogP: | 2.33760 |
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- Total:18 Page 1 of 1 1
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Specification
The Tricyclo[3.3.1.13,7]decan-1-ol,3-methyl-, with the CAS registry number 702-81-8, is also called 3-Methyl-1-adamantanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H18O.
The characteristics of Tricyclo[3.3.1.13,7]decan-1-ol,3-methyl- are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 60.08; (6)ACD/BCF (pH 7.4): 60.08; (7)ACD/KOC (pH 5.5): 652.86; (8)ACD/KOC (pH 7.4): 652.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 48.32 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 19.15×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 56.03 kJ/mol; (21)Boiling Point: 245.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00487 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC12CC3CC(C1)(CC(C2)C3)C
(2)InChI: InChI=1/C11H18O/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9,12H,2-7H2,1H3
(3)InChIKey: PJBDPRVLKHVTCY-UHFFFAOYAO