1-CYCLOPROPYL-1-PHENYLETHANOL

The Benzenemethanol, a-cyclopropyl-a-methyl-, with CAS registry number 5558-04-3, has the systematic name of 1-cyclopropyl-1-phenylethanol. Besides this, it is also called alpha-Cyclopropyl-alpha-methylbenzyl alcohol~Cyclopropyl methyl phenyl carbinol. And the chemical formula of this chemical is C₁₁H₁₄O. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Benzenemethanol, a-cyclopropyl-a-methyl-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.16; (6)ACD/BCF (pH 7.4): 23.16; (7)ACD/KOC (pH 5.5): 329.94; (8)ACD/KOC (pH 7.4): 329.94; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 48.74 cm³; (15)Molar Volume: 146.4 cm³; (16)Polarizability: 19.32×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol; (21)Boiling Point: 263.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00524 mmHg at 25°C.

Preparation: this chemical can be prepared by diiodomethane and 2-phenyl-but-3-en-2-ol. This reaction will need reagents Sm, mercuric chloride and solvent tetrahydrofuran. The reaction temperature is -78 - 20 ℃. The yield is about 53%.

Uses of Benzenemethanol, a-cyclopropyl-a-methyl-: it can be used to produce (4-bromo-1-methyl-but-1-enyl)-benzene. This reaction will need reagent 48% aq. HBr, LiBr and solvent acetonitrile. The reaction time is 2.5 hour(s) with reaction temperature of -20 ℃. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(C)C2CC2
(2)InChI: InChI=1/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
(3)InChIKey: ODESSVLMCLJHHD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
(5)Std. InChIKey: ODESSVLMCLJHHD-UHFFFAOYSA-N