CAS No.2117-12-6,4-TRIMETHYLSILYL-3-BUTYN-1-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2117-12-6
Name:	4-TRIMETHYLSILYL-3-BUTYN-1-OL
Article Data:	39

Formula:	C₇H₁₄OSi
Molecular Weight:	142.273
Synonyms:	Silane,(4-hydroxy-1-butynyl)trimethyl- (8CI);4-Trimethylsilyl-3-butyn-1-ol;
Density:	0.854g/cm³
Boiling Point:	159.3 °C at 760 mmHg
Flash Point:	50.1 °C
Appearance:	Clear colorless liquid
Risk Codes:	10
Safety:	16
PSA:	20.23000
LogP:	1.24960

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Specification

The 3-Butyn-1-ol,4-(trimethylsilyl)-, with CAS registry number 2117-12-6, has the systematic name of 4-(trimethylsilyl)but-3-yn-1-ol. This chemical is a kind of clear colorless liquid. This chemical is flammable, so keep it away from sources of ignition. And the chemical formula of this chemical is C₇H₁₄OSi.

Physical properties of 3-Butyn-1-ol,4-(trimethylsilyl)-: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.2; (6)ACD/BCF (pH 7.4): 22.2; (7)ACD/KOC (pH 5.5): 320.11; (8)ACD/KOC (pH 7.4): 320.11; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 42.73 cm³; (15)Molar Volume: 160.6 cm³; (16)Polarizability: 16.94×10^-24cm³; (17)Surface Tension: 26.5 dyne/cm; (18)Density: 0.885 g/cm³; (19)Flash Point: 50.1 °C; (20)Enthalpy of Vaporization: 46.11 kJ/mol; (21)Boiling Point: 159.3 °C at 760 mmHg; (22)Vapour Pressure: 0.89 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-trimethylsilanyl-3-trimethylsilanyloxy-but-1-yne. This reaction will need reagent water, hydrochloric acid. The reaction time is 1 hour(s).

Uses of 3-Butyn-1-ol,4-(trimethylsilyl)-: it can be used to produce 4-trimethylsilanyl-butan-2-ol. This reaction will need reagent H₂ and solvent ethanol .

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC#C[Si](C)(C)C
(2)InChI: InChI=1/C7H14OSi/c1-9(2,3)7-5-4-6-8/h8H,4,6H2,1-3H3
(3)InChIKey: VSTMVAFCUIGHQI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H14OSi/c1-9(2,3)7-5-4-6-8/h8H,4,6H2,1-3H3
(5)Std. InChIKey: VSTMVAFCUIGHQI-UHFFFAOYSA-N