3-methyl-3-phenylpentane-1,5-diol

The 1,5-Pentanediol,3-methyl-3-phenyl-, with the CAS registry number 84100-46-9, is also known as 3-Methyl-3-phenyl-1,5-pentanediol. Its EINECS registry number is 282-125-2. This chemical's molecular formula is C₁₂H₁₈O₂ and molecular weight is 194.27012. What's more, its systematic name and its IUPAC name are the same which is called 3-Methyl-3-phenylpentane-1,5-diol.

Physical properties about 1,5-Pentanediol,3-methyl-3-phenyl- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.2; (6)ACD/BCF (pH 7.4): 5.2; (7)ACD/KOC (pH 5.5): 113.35; (8)ACD/KOC (pH 7.4): 113.35; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 56.97 cm³; (15)Molar Volume: 184.1 cm³; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.054 g/cm³; (18)Flash Point: 173 °C; (19)Enthalpy of Vaporization: 63.84 kJ/mol; (20)Boiling Point: 359.4 °C at 760 mmHg; (21)Vapour Pressure: 8.6E-06 mmHg at 25 °C.

Uses of 1,5-Pentanediol,3-methyl-3-phenyl-: it is used to produce other chemicals. For example, it is used to produce 3-Methyl-1,5-bis(4-methylphenylsulfonyloxy)-3-phenylpentan.



The reaction occurs with Toluene-4-sulfonyl chloride and solvent Pyridine at temperature of -20°C for 20 hours. The yield is 86 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCC(c1ccccc1)(CCO)C
(2) InChI: InChI=1/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
(3) InChIKey: QIGUSNIFPVCARD-UHFFFAOYAZ