CAS No.72047-94-0,2-(Trimethylsilylmethyl)allyl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72047-94-0
Name:	2-(Trimethylsilylmethyl)allyl acetate
Article Data:	8

Formula:	C₉H₁₈O₂Si
Molecular Weight:	186.326
Synonyms:	2-Propen-1-ol,2-[(trimethylsilyl)methyl]-, acetate (9CI);2-(Trimethylsilylmethyl)allylacetate;2-Acetoxymethyl-3-trimethylsilylpropene;2-[(Trimethylsilyl)methyl]-2-propen-1-yl acetate;2-[(Trimethylsilyl)methyl]-2-propenyl acetate;3-Acetoxy-2-(trimethylsilylmethyl)-1-propene;Acetic acid2-[(trimethylsilyl)methyl]-2-propenyl ester;[2-(Acetoxymethyl)allyl]trimethylsilane;
Density:	0.882 g/cm³
Boiling Point:	228.3 °C at 760 mmHg
Flash Point:	71.1 °C
Solubility:	reacts
Appearance:	Clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38-14
Safety:	26-37/39
PSA:	26.30000
LogP:	2.44390

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Specification

The 2-(Trimethylsilylmethyl)allyl acetate, with the CAS registry number 72047-94-0, has the systematic name of 2-[(trimethylsilyl)methyl]prop-2-en-1-yl acetate. It is a kind of clear colorless liquid. And the molecular formula of the chemical is C₉H₁₈O₂Si.

The characteristics of 2-(Trimethylsilylmethyl)allyl acetate are as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 132.66; (6)ACD/BCF (pH 7.4): 132.66; (7)ACD/KOC (pH 5.5): 1150.99; (8)ACD/KOC (pH 7.4): 1150.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 53.8 cm³; (15)Molar Volume: 211.2 cm³; (16)Polarizability: 21.32×10^-24cm³; (17)Surface Tension: 22.3 dyne/cm; (18)Density: 0.882 g/cm³; (19)Flash Point: 71.1 °C; (20)Enthalpy of Vaporization: 46.49 kJ/mol; (21)Boiling Point: 228.3 °C at 760 mmHg; (22)Vapour Pressure: 0.074 mmHg at 25°C.

Uses of 2-(Trimethylsilylmethyl)allyl acetate: It can react with 3-phenyl-propenal to produce 2-((E)-2-Phenylethenyl)-4-methylenetetrahydrofuran. This reaction will need reagent triphenylphosphine, and the menstruum tetrahydrofuran. And the yield is about 83%.

You should be cautious while dealing with this chemical. It reacts violently with water, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC\C(=C)C[Si](C)(C)C)C
(2)InChI: InChI=1/C9H18O2Si/c1-8(6-11-9(2)10)7-12(3,4)5/h1,6-7H2,2-5H3
(3)InChIKey: IKQWABMHZKGCLX-UHFFFAOYAQ