8-PHENYL-1-OCTANOL

The Benzeneoctanol, with the CAS registry number 10472-97-6, is also known as 8-Phenyl-n-octanol. This chemical's molecular formula is C₁₄H₂₂O and molecular weight is 206.32. What's more, its systematic name is 8-Phenyloctan-1-ol. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool, dark and dry place.

Physical properties of Benzeneoctanol are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1282.42; (6)ACD/BCF (pH 7.4): 1282.42; (7)ACD/KOC (pH 5.5): 5838.84; (8)ACD/KOC (pH 7.4): 5838.84; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 65.13 cm³; (15)Molar Volume: 218.7 cm³; (16)Polarizability: 25.82×10^-24 cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.942 g/cm³; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 59.8 kJ/mol; (21)Boiling Point: 324.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0001 mmHg at 25 °C.

Uses of Benzeneoctanol: it can be used to produce 8-Phenyloctyl bromide at 0 °C. It will need reagents Ph₃P, CBr₄ and solvent CH₂Cl₂ with the reaction time of 1 hour. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCc1ccccc1
(2)InChI: InChI=1/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
(3)InChIKey: MGIGATOGROSKNW-UHFFFAOYAG