CAS No.40150-92-3,(1-HYDROXYETHYL)-4-(2-METHYLPROPYL)BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40150-92-3
Name:	(1-HYDROXYETHYL)-4-(2-METHYLPROPYL)BENZENE
Article Data:	44

Formula:	C₁₂H₁₈O
Molecular Weight:	178.274
Synonyms:	1-(4-Isobutylphenyl)ethanol;1-(4'-Isobutylphenyl)ethanol;1-(p-Isobutylphenyl)ethanol;4-(2-Methylpropyl)-α-methylbenzenemethanol;α-(4-Isobutylphenyl)ethanol;α-(4-Isobutylphenyl)ethyl alcohol;
EINECS:	604-604-1
Density:	0.954 g/cm³
Boiling Point:	245.5 °C at 760 mmHg
Flash Point:	108.2 °C
PSA:	20.23000
LogP:	2.93840

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Specification

The Benzenemethanol, α-methyl-4-(2-methylpropyl)-, with the CAS registry number 40150-92-3, is also known as 1-(4-Isobutylphenyl)ethanol. This chemical's molecular formula is C₁₂H₁₈O and molecular weight is 178.27. What's more, its IUPAC name is 1-[4-(2-Methylpropyl)phenyl]ethanol.

Physical properties about Benzenemethanol, α-methyl-4-(2-methylpropyl)- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.43; (6)ACD/BCF (pH 7.4): 174.43; (7)ACD/KOC (pH 5.5): 1400.13; (8)ACD/KOC (pH 7.4): 1400.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 56.11 cm³; (15)Molar Volume: 186.7 cm³; (16)Polarizability: 22.24×10^-24 cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.954 g/cm³; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 50.99 kJ/mol; (21)Boiling Point: 245.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0153 mmHg at 25 °C.

Preparation of Benzenemethanol, α-methyl-4-(2-methylpropyl)-: this chemical is prepared by 1-(4-Isobutyl-phenyl)-ethanon. The reaction needs reagent NaBH₄ and solvent Methanol. The reaction time is 1 hour with reaction temperature of 20 °C. The yield is about 99.9 %.

Benzenemethanol, α-methyl-4-(2-methylpropyl)- can be obtained by 1-(4-Isobutyl-phenyl)-ethanon

Uses of Benzenemethanol, α-methyl-4-(2-methylpropyl)-: it is used to produce other chemicals. For example, it is used to produce p-Isobutylstyrene. This reaction needs reagents Potassium bisulfate and p-Methoxyphenol. The reaction temperature is 200 °C and the yield is about 78 %.

Benzenemethanol, α-methyl-4-(2-methylpropyl)-can be used to produce p-Isobutylstyrene.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccc(cc1)CC(C)C)C
(2) InChI: InChI=1/C12H18O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10,13H,8H2,1-3H3
(3) InChIKey: VLVILBSSXMZZCB-UHFFFAOYAC