Name: ALLYLTRIISOPROPYLSILANE
SKU: 24400-84-8

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Basic Information

Molecular Structure:
CAS No.:	24400-84-8
Name:	ALLYLTRIISOPROPYLSILANE
Article Data:	10

Formula:	C₁₂H₂₆Si
Molecular Weight:	198.424
Synonyms:	Silane,allyltriisopropyl- (8CI);Silane, tris(1-methylethyl)-2-propenyl- (9CI);Allyltriisopropylsilane;Triisopropyl(2-propenyl)silane;
Density:	0.767 g/cm³
Melting Point:	< 0 °C
Boiling Point:	210.7 °C at 760 mmHg
Flash Point:	76.1 °C
Appearance:	colorless transparent liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	4.85120

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Specification

The IUPAC name of Allyltriisopropylsilane is tri(propan-2-yl)-prop-2-enylsilane. With the CAS registry number 24400-84-8, it is also named as Silane,tris(1-methylethyl)-2-propen-1-yl-. The product's categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry; Organometallic Reagents; Organosilicon; Others. Besides, it is colorless transparent liquid, which should be stored in a sealed and cool place. In addition, its molecular formula is C₁₂H₂₆Si and molecular weight is 198.42.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.03; (5)ACD/BCF (pH 5.5): 22346.17; (6)ACD/BCF (pH 7.4): 22346.17; (7)ACD/KOC (pH 5.5): 45159.08; (8)ACD/KOC (pH 7.4): 45159.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 65.96 cm³; (15)Molar Volume: 258.5 cm³; (16)Polarizability: 26.14×10^-24cm³; (17)Surface Tension: 20.4 dyne/cm; (18)Density: 0.767 g/cm³; (19)Flash Point: 76.1 °C; (20)Melting Point: < 0 °C; (21)Enthalpy of Vaporization: 42.88 kJ/mol; (22)Boiling Point: 210.7 °C at 760 mmHg; (23)Vapour Pressure: 0.274 mmHg at 25 °C.

Preparation of Allyltriisopropylsilane: this chemical can be prepared by the reaction of allylmagnesium chloride with triisopropylsilyl trifluorometanesulfonate.

This reaction needs tetrahydrofuran at ambient temperature for 5 hours. The yield is 96 %.

Uses of Allyltriisopropylsilane: it is used as surface treatment of glass. Additionally, it can react with (R)-p-menth-4(8)-en-3-one to get 1,1,8-trimethyl-3-triisopropylsilanyl-spiro[4.5]decan-6-one.

This reaction needs TiCl₄ and CH₂Cl₂ at temperature of -78 - -20 °C. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)[Si](CC=C)(C(C)C)C(C)C
(2)InChI: InChI=1S/C12H26Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8,10-12H,1,9H2,2-7H3
(3)InChIKey: AKQHUJRZKBYZLC-UHFFFAOYSA-N