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| CAS No.: | 628-29-5 |
|---|---|
| Name: | N-BUTYL METHYL SULFIDE |
| Molecular Structure: | |
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| Formula: | C5H12S |
| Molecular Weight: | 104.216 |
| Synonyms: | Sulfide,butyl methyl (6CI,7CI,8CI);1-(Methylthio)butane;2-Thiahexane;Butyl methylsulfide;Butyl methyl thioether;Methyl butyl sulfide;n-Butyl methyl sulfide;a-(Methylthio)butane; |
| EINECS: | 211-034-2 |
| Density: | 0.85 g/cm3 |
| Melting Point: | -97.85°C |
| Boiling Point: | 122.6 °C at 760 mmHg |
| Flash Point: | 20.6 °C |
| Hazard Symbols: | R11:Highly flammable.; |
| Risk Codes: | 11 |
| Safety: | 16-23-33 |
| PSA: | 25.30000 |
| LogP: | 2.14950 |
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Specification
The IUPAC name of n-Butyl methyl sulphide is 1-methylsulfanylbutane . With the CAS registry number 628-29-5, it is also named as Butane, 1-(methylthio)- ; Methyl butyl sulphide ; Butyl methyl sulphide . n-Butyl methyl sulphide is highly flammable. Keep away from sources of ignition. Do not breathe vapour. Take precautionary measures against static discharges.
Many organic reaction can generate n-Butyl methyl sulphide . Such as: 1. 4-chloro-benzoic acid methyl ester can recats with tris-methylsulfanyl-methane to get tetrathioorthocarbonic acid tetramethyl ester , 1-(4-chloro-phenyl)-2,2-bis-methylsulfanyl-ethanone and 1-methylsulfanyl-butane . 2. 1-methyl-tetrahydro-thiophenium can generate methane , 1-methylsulfanyl-butane and tetrahydrothiophene .
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The n-Butyl methyl sulphide can be used in organic synthesis to obtain other chemicals. For example: 1. It can react with azidobenzene to get 2-butylsulfanyl-aniline.
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2. It also reacts with benzenesulfonic acid to get N-Phenylsulfonyl-S-butyl-S-methylsulfilimine .
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The other characteristics of this product can be summarized as: (1)#Freely Rotating Bonds: 3 ; (2)Index of Refraction: 1.443 ; (3)Molar Refractivity: 33.21 cm3 ; (4)Molar Volume: 125 cm3 ; (5)Polarizability: 13.16×10-24 cm3 ; (6)Surface Tension: 25.7 dyne/cm ; (7)Enthalpy of Vaporization: 34.57 kJ/mol ; (8)Vapour Pressure: 16.6 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: S(CCCC)C; InChI: InChI=1/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3.