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20834-59-7

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Basic Information
CAS No.: 20834-59-7
Name: FEMA 3242
Article Data: 13
Molecular Structure:
Molecular Structure of 20834-59-7 (FEMA 3242)
Formula: C11H16O
Molecular Weight: 164.247
Synonyms: Phenethylalcohol, p,a,a-trimethyl- (6CI,7CI,8CI);1,1-Dimethyl-2-(4-methylphenyl)ethanol;2-Methyl-1-(p-tolyl)propan-2-ol;2-(4-Methylphenyl)-2-propanol;
EINECS: 214-817-7
Density: 0.971 g/cm3
Boiling Point: 240.8 °C at 760 mmHg
Flash Point: 107.6 °C
PSA: 20.23000
LogP: 2.30840
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Specification

The CAS register number of Benzeneethanol, a,a,4-trimethyl- is 20834-59-7. It also can be called as 2-(4-Methylphenyl)-2-propanol and the IUPAC name about this chemical is 2-methyl-1-(4-methylphenyl)propan-2-ol. The molecular formula about this chemical is C11H16O and the molecular weight is 164.25.

Physical properties about Benzeneethanol, a,a,4-trimethyl- are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.1; (5)ACD/BCF (pH 7.4): 48.1; (6)ACD/KOC (pH 5.5): 556.81; (7)ACD/KOC (pH 7.4): 556.81; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 51.39 cm3; (14)Molar Volume: 169 cm3; (15)Polarizability: 20.37x10-24cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Density: 0.971 g/cm3; (18)Flash Point: 107.6 °C; (19)Enthalpy of Vaporization: 50.49 kJ/mol; (20)Boiling Point: 240.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0201 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(Cc1ccc(cc1)C)(C)C
(2)InChI: InChI=1/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
(3)InChIKey: LABNAHQUILHURR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
(5)Std. InChIKey: LABNAHQUILHURR-UHFFFAOYSA-N