CAS No.17887-60-4,PHENYLDIMETHYLACETOXYSILANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17887-60-4
Name:	PHENYLDIMETHYLACETOXYSILANE
Article Data:	16

Formula:	C₁₀H₁₄O₂Si
Molecular Weight:	194.305
Synonyms:	Silanol,dimethylphenyl-, acetate (6CI,7CI,8CI,9CI);Dimethylphenylacetoxysilane;Dimethylphenylsilyl acetate;Phenyldimethylacetoxysilane;Dimethyl(phenyl)silyl acetate;Silanol, 1,1-dimethyl-1-phenyl-, acetate;Silanol, dimethylphenyl-, acetate;
EINECS:	241-836-8
Density:	0.99 g/cm³
Boiling Point:	198.7 °C at 760 mmHg
Flash Point:	61.6 °C
PSA:	26.30000
LogP:	1.66180

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Specification

The Silanol,1,1-dimethyl-1-phenyl-, 1-acetate, with the CAS registry number 17887-60-4 and EINECS registry number 241-836-8, has the systematic name of dimethyl(phenyl)silyl acetate. And the molecular formula of the chemical is C₁₀H₁₄O₂Si.

The characteristics of Silanol,1,1-dimethyl-1-phenyl-, 1-acetate are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.68; (6)ACD/BCF (pH 7.4): 109.68; (7)ACD/KOC (pH 5.5): 1004.46; (8)ACD/KOC (pH 7.4): 1004.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 55.88 cm³; (15)Molar Volume: 194.9 cm³; (16)Polarizability: 22.15×10^-24cm³; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 61.6 °C; (20)Enthalpy of Vaporization: 43.49 kJ/mol; (21)Boiling Point: 198.7 °C at 760 mmHg; (22)Vapour Pressure: 0.356 mmHg at 25°C.

Uses of Silanol,1,1-dimethyl-1-phenyl-, 1-acetate: It can react with 6-oxabicyclo[3.1.0]hex-2-ene to produce acetic acid 4-(dimethyl-phenyl-silanyloxy)-cyclopent-2-enyl ester. This reaction will need reagent Pd(PPh₃)₄, and the menstruum tetrahydrofuran. The reaction time is 15 minutes with temperature of 0°C, and the yield is about 65%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[Si](c1ccccc1)(C)C)C
(2)InChI: InChI=1/C10H14O2Si/c1-9(11)12-13(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
(3)InChIKey: KEVICWGPAZOCGD-UHFFFAOYAZ