(4-tert-Butoxyphenyl)methanol supplier

Name
(4-TERT-BUTOXY-PHENYL)-METHANOL
EINECS 257-246-9
CAS No. 51503-08-3
Article Data4
CAS DataBase
Density 1.019 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆O₂
Boiling Point 281.7 °C at 760 mmHg
Molecular Weight 180.247
Flash Point 114.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, p-tert-butoxy- (6CI);(4-tert-Butoxyphenyl)methanol;4-tert-Butoxybenzyl alcohol;p-tert-Butoxybenzyl alcohol;[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol;benzenemethanol, 4-(1,1-dimethylethoxy)-;
PSA 29.46000
LogP 2.35620

(4-tert-Butoxyphenyl)methanol Specification

The Benzenemethanol,4-(1,1-dimethylethoxy)-, with the CAS registry number 51503-08-3 and EINECS registry number 257-246-9, has the systematic name of (4-tert-butoxyphenyl)methanol. It belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. And the molecular formula of the chemical is C₁₁H₁₆O₂.

The characteristics of Benzenemethanol,4-(1,1-dimethylethoxy)- are as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.63; (6)ACD/BCF (pH 7.4): 26.63; (7)ACD/KOC (pH 5.5): 364.7; (8)ACD/KOC (pH 7.4): 364.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 53.24 cm³; (15)Molar Volume: 176.8 cm³; (16)Polarizability: 21.1×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 114.7 °C; (20)Enthalpy of Vaporization: 54.98 kJ/mol; (21)Boiling Point: 281.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25°C.

Preparation of Benzenemethanol,4-(1,1-dimethylethoxy)-: This chemical can be prepared by 2-chloro-2-methyl-propane and 4-hydroxy-benzyl alcohol. The reaction will need reagent Etherification, and the menstruum Zn. The reaction time is 1 hour with temperature of 25°C, and the yield is about 82%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)CO)C(C)(C)C
(2)InChI: InChI=1/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
(3)InChIKey: HXCIWXCKKJLNMH-UHFFFAOYAE

Product Name

(4-TERT-BUTOXY-PHENYL)-METHANOL

(4-tert-Butoxyphenyl)methanol Specification

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