(S)-(+)-1-BENZYLOXY-2-PROPANOL 97

The systematic name of 2-Propanol,1-(phenylmethoxy)-, (2S)- is (2S)-1-benzyloxypropan-2-ol. With the CAS registry number 85483-97-2, it is also named as (S)-(+)-1-Benzyloxy-2-propanol. In addition, its molecular formula is C₁₀H₁₄O₂ and its molecular weight is 166.219.

The other characteristics of 2-Propanol,1-(phenylmethoxy)-, (2S)- can be summarized as: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.08; (6)ACD/BCF (pH 7.4): 12.08; (7)ACD/KOC (pH 5.5): 207.1; (8)ACD/KOC (pH 7.4): 207.1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.46 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 48.3 cm³; (15)Molar Volume: 159.5 cm³; (16)Polarizability: 19.15×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 53 kJ/mol; (21)Boiling Point: 263.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00505 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(COCc1ccccc1)O
(2)InChI: InChI=1/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
(3)InChIKey: KJBPYIUAQLPHJG-VIFPVBQEBW
(4)Std. InChI: InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
(5)Std. InChIKey: KJBPYIUAQLPHJG-VIFPVBQESA-N