1-PHENYL-1-OCTANOL

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