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5-Trimethylsilyl-4-pentyn-1-ol

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Name

5-Trimethylsilyl-4-pentyn-1-ol

EINECS N/A
CAS No. 13224-84-5 Density 0.882 g/cm3
PSA 20.23000 LogP 1.63970
Solubility N/A Melting Point N/A
Formula C8H16OSi Boiling Point 189.6 °C at 760 mmHg
Molecular Weight 156.3 Flash Point 68.5 °C
Transport Information UN 1987 Appearance clear colorless to yellow liquid
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 13224-84-5 (5-(TRIMETHYLSILYL)-4-PENTYN-1-OL) Hazard Symbols N/A
Synonyms

5-(Trimethylsilyl)-4-pentyn-1-ol;5-Hydroxy-1-trimethylsilyl-1-pentyne;

Article Data 46

5-Trimethylsilyl-4-pentyn-1-ol 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

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