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5916-12-1

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Basic Information
CAS No.: 5916-12-1
Name: 2-ACETYLTHIOPHENE ETHYLENE ACETAL
Article Data: 3
Molecular Structure:
Molecular Structure of 5916-12-1 (2-ACETYLTHIOPHENE ETHYLENE ACETAL)
Formula: C8H10O2S
Molecular Weight: 170.232
Synonyms: 2-Methyl-2-(2-thienyl)-1,3-dioxolane;2-Methyl-2-(thiophen-2-yl)-[1,3]dioxolane;2-Methyl-2-thiophen-2-yl-1,3-dioxolane;
Density: 1.191 g/cm3
Melting Point: 30-33 °C
Boiling Point: 243.7 °C at 760 mmHg
Flash Point: 101.2 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: 20/21/22
Safety: 36/37
PSA: 46.70000
LogP: 1.96760
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Specification

The 2-methyl-2-thiophen-2-yl-1,3-dioxolane is an organic compound with the formula C8H10O2S. The systematic name of this chemical is 2-Methyl-2-thiophen-2-yl-1,3-dioxolane. With the CAS registry number 5916-12-1, it is also named as 2-Methyl-2-(2-thienyl)-1,3-dioxolane. Besides, it should be stored in a cool, sealed, dry and lightproof place.

The physical properties of 2-methyl-2-thiophen-2-yl-1,3-dioxolane are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.89; (5)ACD/BCF (pH 7.4): 14.89; (6)ACD/KOC (pH 5.5): 240.59; (7)ACD/KOC (pH 7.4): 240.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.7 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 44.48 cm3; (13)Molar Volume: 142.8 cm3; (14)Polarizability: 17.63×10-24 cm3; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.191 g/cm3; (17)Flash Point: 101.2 °C; (18)Enthalpy of Vaporization: 46.12 kJ/mol; (19)Boiling Point: 243.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0495 mmHg at 25 °C.

Preparation: this chemical can be prepared by Ethane-1,2-diol and 1-Thiophen-2-yl-ethanone. This reaction will need reagent p-toluenesulphonic acid and solvent benzene. The reaction time is 16 hours. The yield is about 79%.

1,3-Dioxolane,2-methyl-2-(2-thienyl)- can be obtained by Ethane-1,2-diol and 1-Thiophen-2-yl-ethanone

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CCOC1(c2sccc2)C
(2)InChI: InChI=1/C8H10O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
(3)InChIKey: CNPKXFSCQYGEQV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H10O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
(5)Std. InChIKey: CNPKXFSCQYGEQV-UHFFFAOYSA-N