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CAS No.: | 928-47-2 |
---|---|
Name: | S-N-BUTYL THIOACETATE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H12OS |
Molecular Weight: | 132.227 |
Synonyms: | 1-Butanethiol,acetate (6CI);Acetic acid, thio-, S-butyl ester (7CI,8CI);NSC 83554;S-Butylthioacetate; |
Density: | 0.953 g/cm3 |
Boiling Point: | 164.9 °C at 760 mmHg |
Flash Point: | 48.8 °C |
Hazard Symbols: | R10:Flammable.; |
Risk Codes: | R10 |
PSA: | 42.37000 |
LogP: | 2.06620 |
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The Butyl thiolacetate, with the CAS registry number 928-47-2, is also known as Acetic acid, thio-, S-butyl ester. This chemical's molecular formula is C6H12OS and molecular weight is 132.22. Its IUPAC name is called S-butyl ethanethioate. The product should be sealed and stored in cool and dry place.
Physical properties of Butyl thiolacetate: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.1; (5)ACD/BCF (pH 7.4): 34.1; (6)ACD/KOC (pH 5.5): 435.26; (7)ACD/KOC (pH 7.4): 435.26; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.458; (11)Molar Refractivity: 37.87 cm3; (12)Molar Volume: 138.6 cm3; (13)Surface Tension: 30.7 dyne/cm; (14)Density: 0.953 g/cm3; (15)Flash Point: 48.8 °C; (16)Enthalpy of Vaporization: 40.14 kJ/mol; (17)Boiling Point: 164.9 °C at 760 mmHg; (18)Vapour Pressure: 1.92 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-acetyl-1H-pyridin-4-one and butane-1-thiol. This reaction will need solvent CH2Cl2. The reaction time is 5 min with ambient temperature. The yield is about 85%.
Uses of Butyl thiolacetate: it can be used to produce butane-1-sulfinyl chloride at temperature of -10 °C. This reaction will need reagent sulfuryl chloride, acetic anhydride with reaction time of 1 hour. The yield is about 86%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCCCC)C
(2)InChI: InChI=1/C6H12OS/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
(3)InChIKey: XBHDWERUSGIZNS-UHFFFAOYAQ