Name: 5-(TRIMETHYLSILYL)-4-PENTYN-1-OL
SKU: 13224-84-5

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Basic Information

Molecular Structure:
CAS No.:	13224-84-5
Name:	5-(TRIMETHYLSILYL)-4-PENTYN-1-OL
Article Data:	46

Formula:	C₈H₁₆OSi
Molecular Weight:	156.3
Synonyms:	5-(Trimethylsilyl)-4-pentyn-1-ol;5-Hydroxy-1-trimethylsilyl-1-pentyne;
Density:	0.882 g/cm³
Boiling Point:	189.6 °C at 760 mmHg
Flash Point:	68.5 °C
Appearance:	clear colorless to yellow liquid
Risk Codes:	10
Safety:	16
Transport Information:	UN 1987
PSA:	20.23000
LogP:	1.63970

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Specification

The systematic name of 5-Trimethylsilyl-4-pentyn-1-ol is 5-(trimethylsilyl)pent-4-yn-1-ol. With the CAS registry number 13224-84-5, it is also named as 4-Pentyn-1-ol,5-(trimethylsilyl)-. The product's categories are Alkynes; Internal; Organic Building Blocks. Besides, it is clear colorless to yellow liquid, which should be stored away from flammable area. In addition, its molecular formula is C₈H₁₆OSi and molecular weight is 156.30. Moreover, it is flammable. When you are using this chemical, please keep away from sources of ignition.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.44; (6)ACD/BCF (pH 7.4): 32.44; (7)ACD/KOC (pH 5.5): 419.96; (8)ACD/KOC (pH 7.4): 419.96; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 47.36 cm³; (15)Molar Volume: 177.1 cm³; (16)Polarizability: 18.77×10^-24cm³; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.882 g/cm³; (19)Flash Point: 68.5 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 189.6 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25 °C.

Preparation of 5-Trimethylsilyl-4-pentyn-1-ol: this chemical can be prepared by Chloro-trimethyl-silane and Pent-4-yn-1-ol.

This reaction needs Zn and Acetonitrile at temperature of 120 °C in a sealed tube. The reaction time is 5 hours. The yield is 96 %.

Uses of 5-Trimethylsilyl-4-pentyn-1-ol: it can be used for producting 5-Iodo-1-pentynyltrimethylsilane.

This reaction needs Ph₃P, Imidazole, I₂, Diethyl ether and Acetonitrile at ambient temperature for 1 hour. The yield is 90 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:C(#C[Si](C)(C)C)CCCO
(2)InChI:InChI=1/C8H16OSi/c1-10(2,3)8-6-4-5-7-9/h9H,4-5,7H2,1-3H3
(3)InChIKey:LIHAMNSEAAPIRM-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C8H16OSi/c1-10(2,3)8-6-4-5-7-9/h9H,4-5,7H2,1-3H3
(5)Std. InChIKey:LIHAMNSEAAPIRM-UHFFFAOYSA-N