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| CAS No.: | 34047-39-7 |
|---|---|
| Name: | 4-Methylthio-2-butanone |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C5H10 O S |
| Molecular Weight: | 118.2 |
| Synonyms: | 4-(Methylthio)-2-butanone;4-Methylsulfanylbutan-2-one |
| EINECS: | 251-810-8 |
| Density: | 1.003 g/mL at 25 ºC(lit.) |
| Boiling Point: | 105 ºC (55 torr) |
| Flash Point: | 162 ºF |
| Appearance: | sweet, sulfurous, fruity flavor like arrowhead |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 42.37000 |
| LogP: | 1.32850 |
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Chemistry
The molecular structure of 2-Butanone,4-(methylthio)- (CAS NO.34047-39-7) is
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IUPAC Name: 4-Methylsulfanylbutan-2-one
Molecular Formula: C5H10 O S
Canonical SMILES: CC(=O)CCSC
InChI: InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3
Molecular Weight: 118.19
EINECS: 251-810-8
Density: 1.003 g/mL at 25 ºC(lit.)
Boiling Point: 185.9 °C at 760 mmHg
Flash Point: 72.2 °C
Appearance: sweet, sulfurous, fruity flavor like arrowhead
Freely Rotating Bonds: 3
Polar Surface Area: 42.37 Å2
Index of Refraction: 1.456
Molar Refractivity: 33.23 cm3
Molar Volume: 122.1 cm3
Polarizability: 13.17 ×10-24 cm3
Surface Tension: 30.3 dyne/cm
Enthalpy of Vaporization: 42.21 kJ/mol
Vapour Pressure: 0.683 mmHg at 25°C
The Cas Register Number of 2-Butanone,4-(methylthio)- is 34047-39-7. The chemical synonyms of 2-Butanone,4-(methylthio)- (CAS NO.34047-39-7) are 2-Butanone, 4-(methylthio)- ; 4-(Methylsulfanyl)butan-2-one ; 4-(Methylthio)-2-butanone ; 4-(Methylmercapto)-2-butanone ; 4-(Methylthio)butan-2-one ; 4-(Methylthio)butan-2-one, 98% ; 4-Methylthio-2-Butanone . Its product categories areAcetylgroup ; sulfide Flavor ; Alphabetical Listings ; Flavors and Fragrances ; M-N .
Uses
2-Butanone,4-(methylthio)- (CAS NO.34047-39-7) is used as food flavor.
Production
Its raw materials are Sodium thiomethoxide .
Safety Profile
Risk Statements: 10
R10: Flammable.
Safety Statements: 16
S16: Keep away from sources of ignition.
RIDADR: 1224
WGK Germany: 3