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CAS No.: | 5916-12-1 |
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Name: | 2-ACETYLTHIOPHENE ETHYLENE ACETAL |
Article Data: | 3 |
Molecular Structure: | |
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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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%.
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