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| CAS No.: | 59123-41-0 |
|---|---|
| Name: | 1-METHYLCYCLOOCTANOL |
| Molecular Structure: | |
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| Formula: | C9H18O |
| Molecular Weight: | 142.241 |
| Synonyms: | 1-Methylcyclooctanol;NSC 103157; |
| Density: | 0.904 g/cm3 |
| Boiling Point: | 206.3 °C at 760 mmHg |
| Flash Point: | 82.3 °C |
| PSA: | 20.23000 |
| LogP: | 2.48170 |
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- Total:12 Page 1 of 1 1
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Specification
The Cyclooctanol, 1-methyl- is an organic compound with the formula C9H18O. The IUPAC name of this chemical is 1-Methylcyclooctan-1-ol. The CAS registry number of this chemical is 59123-41-0. Besides, its molecular weight is 142.24.
Physical properties about Cyclooctanol, 1-methyl- are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3.01; (3)ACD/LogD (pH 7.4): 3.01; (4)ACD/BCF (pH 5.5): 114.21; (5)ACD/BCF (pH 7.4): 114.21; (6)ACD/KOC (pH 5.5): 1034.01; (7)ACD/KOC (pH 7.4): 1034.01; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 43.09 cm3; (14)Molar Volume: 157.3 cm3; (15)Polarizability: 17.08×10-24 cm3; (16)Surface Tension: 30.8 dyne/cm; (17)Density: 0.904 g/cm3; (18)Flash Point: 82.3 °C; (19)Enthalpy of Vaporization: 51.48 kJ/mol; (20)Boiling Point: 206.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0565 mmHg at 25 °C.
Preparation: this chemical can be prepared by Non-8-en-2-one. This reaction will need reagents SmI2; HMPA; t-BuOH and solvent tetrahydrofuran. The yield is about 54%.
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Uses of Cyclooctanol, 1-methyl-: it can be used to produce 9-Bromo-nonan-2-one at temperature of 0 °C. This reaction is a kind of Bromination//retro-Barbier fragmentation. It will need reagents Br2; K2CO3 and solvent CHCl3 with reaction time of 5 hours. The yield is about 83%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3
(2)InChIKey: YCICXFIRAMLYDV-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3
(4)Std. InChIKey: YCICXFIRAMLYDV-UHFFFAOYSA-N