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| CAS No.: | 19396-73-7 |
|---|---|
| Name: | 1-PHENYL-1-OCTANOL |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C14H22O |
| Molecular Weight: | 206.328 |
| Synonyms: | 1-Octanol,1-phenyl- (8CI);Benzyl alcohol, a-heptyl- (4CI);1-Phenyl-1-octanol;1-Phenyloctyl alcohol;(R,S)-1-Phenyl-octan-1-ol; |
| Density: | 0.939 g/cm3 |
| Boiling Point: | 285.1 °C at 760 mmHg |
| Flash Point: | 131 °C |
| PSA: | 20.23000 |
| LogP: | 4.08050 |
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Specification
The CAS register number of Benzenemethanol, a-heptyl- is 19396-73-7. It also can be called as 1-Phenyloctyl alcohol and the systematic name about this chemical is 1-phenyloctan-1-ol. The molecular formula about this chemical is C14H22O and the molecular weight is 206.32.
Physical properties about Benzenemethanol, a-heptyl- are: (1)ACD/LogP: 4.57; (2)ACD/LogD (pH 5.5): 4.57; (3)ACD/LogD (pH 7.4): 4.57; (4)ACD/BCF (pH 5.5): 1750.88; (5)ACD/BCF (pH 7.4): 1750.88; (6)ACD/KOC (pH 5.5): 7296.6; (7)ACD/KOC (pH 7.4): 7296.6; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 65.13 cm3; (14)Molar Volume: 219.5 cm3; (15)Polarizability: 25.82x10-24cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 131 °C; (19)Enthalpy of Vaporization: 55.36 kJ/mol; (20)Boiling Point: 285.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00134 mmHg at 25 °C.
Preparation: this chemical can be prepared by phenylmagnesium bromide and octanal. This reaction will need solvent of tetrahydrofuran. This reaction needs heating. The reaction time is 2 hours. The yield is about 70.6%.
Uses of Benzenemethanol, a-heptyl-: it can be used to produce 1-phenyl-octan-1-one. This reaction will need reagents of CrO3, 70percent t-BuOOH and solvent of CH2Cl2. The reaction time is 17 hours with ambient temperature. The yield is about 96%.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)CCCCCCC
(2)InChI: InChI=1/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3
(3)InChIKey: MNBCPXKENXMEEJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3
(5)Std. InChIKey: MNBCPXKENXMEEJ-UHFFFAOYSA-N