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2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester

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Name

2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester

EINECS
CAS No. 16205-84-8 Density 0.929 g/cm3
Solubility Melting Point
Formula C8H14O2Si Boiling Point 190.9 °C at 760 mmHg
Molecular Weight 170.28 Flash Point 71.1 °C
Transport Information Appearance Clear colorless liquid
Safety 26 Risk Codes 36/37
Molecular Structure Molecular Structure of 16205-84-8 (2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester) Hazard Symbols IrritantXi
Synonyms

Propiolicacid, (trimethylsilyl)-, ethyl ester (6CI,8CI);1-(Ethoxycarbonyl)-2-(trimethylsilyl)acetylene;3-(Trimethylsilyl)-2-propynoicacid ethyl ester;Ethyl (trimethylsilyl)ethynylcarboxylate;Ethyl(trimethylsilyl)propiolate;Ethyl 3-(trimethylsilyl)propiolate;Ethyl3-(trimethylsilyl)propynoate;

 

2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester Specification

The 2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester is an organic compound with the formula C8H14O2Si. The systematic name of this chemical is Ethyl 3-(trimethylsilyl)prop-2-ynoate. With the CAS registry number 16205-84-8, it is also named as Ethyl 3-(trimethylsilyl)propiolate. Besides, it is clear colorless liquid.

Physical properties about 2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester are: (1)ACD/LogP: 3.30; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 189.75; (5)ACD/BCF (pH 7.4): 189.75; (6)ACD/KOC (pH 5.5): 1487.07; (7)ACD/KOC (pH 7.4): 1487.07; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 47.6 cm3; (13)Molar Volume: 183.1 cm3; (14)Polarizability: 18.87×10-24 cm3; (15)Surface Tension: 25.7 dyne/cm; (16)Density: 0.929 g/cm3; (17)Flash Point: 71.1 °C; (18)Enthalpy of Vaporization: 42.71 kJ/mol; (19)Boiling Point: 190.9 °C at 760 mmHg; (20)Vapour Pressure: 0.53 mmHg at 25 °C.

Preparation: this chemical can be prepared by Carbonochloridic acid ethyl ester. This reaction will need reagent n-BuLi. The yield is about 95%.

Uses of 2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester: it can be used to produce 2-(Trimethylsilyl)benzoesaeure-ethylester at temperature of 190 °C. It will need solvent xylene with reaction time of 40 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
(2)InChIKey: QRBKPHYAIRLCLK-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
(4)Std. InChIKey: QRBKPHYAIRLCLK-UHFFFAOYSA-N

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