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