Name: 2-methyl-2-phenylpropane-1,3-diol
SKU: 24765-53-5

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Basic Information

Molecular Structure:
CAS No.:	24765-53-5
Name:	2-methyl-2-phenylpropane-1,3-diol
Article Data:	11

Formula:	C₁₀H₁₄O₂
Molecular Weight:	166.22
Synonyms:	2-Phenyl-2-methylpropane-1,3-diol;
EINECS:	246-451-9
Density:	1.099 g/cm³
Boiling Point:	319.8 °C at 760 mmHg
Flash Point:	156 °C
PSA:	40.46000
LogP:	0.92890

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Specification

The 1,3-Propanediol,2-methyl-2-phenyl-, with the CAS registry number 24765-53-5, is also known as 2-Phenyl-2-methylpropane-1,3-diol. Its EINECS registry number is 246-451-9. This chemical's molecular formula is C₁₀H₁₄O₂ and molecular weight is 166.217. What's more, both its IUPAC name and systematic name are the same which is 2-Methyl-2-phenylpropane-1,3-diol.

Physical properties about 1,3-Propanediol,2-methyl-2-phenyl- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 67.15; (8)ACD/KOC (pH 7.4): 67.15; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 47.7 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 18.91×10^-24 cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 59.27 kJ/mol; (21)Boiling Point: 319.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(c1ccccc1)(C)CO
(2) InChI: InChI=1/C10H14O2/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
(3) InChIKey: BHEIMYVOVVBWRL-UHFFFAOYAF