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| Name |
S-Methyl 2-methylthiobutyrate |
EINECS | 255-648-9 |
| CAS No. | 42075-45-6 | Density | 0.95 g/cm3 |
| PSA | 42.37000 | LogP | 1.92210 |
| Solubility | insoluble in water; soluble in fats and alcohols | Melting Point |
N/A |
| Formula | C6H12 O S | Boiling Point | 158.1 °C at 760 mmHg |
| Molecular Weight | 132.227 | Flash Point | 44 °C |
| Transport Information | N/A | Appearance | Colorless to Slight yellow liquild |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
S-Methyl2-methylbutanethioate |
S-Methyl 2-methylthiobutyrate Chemical Properties
Molecular Structure of S-Methyl 2-methylthiobutyrate (CAS No.42075-45-6):
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Molecular Formula: C6H12OS
Molecular Weight: 132.2239
CAS No: 42075-45-6
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 42.37 Å2
Index of Refraction: 1.456
Molar Refractivity: 37.83 cm3
Molar Volume: 139 cm3
Surface Tension: 29.4 dyne/cm
Density: 0.95 g/cm3
Flash Point: 44 °C
Enthalpy of Vaporization: 39.47 kJ/mol
Boiling Point: 158.1 °C at 760 mmHg
Vapour Pressure: 2.67 mmHg at 25°C
IUPAC Name: S-Methyl 2-methylbutanethioate
InChI: InChI=1/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey: IAMIOPHEADLKFT-UHFFFAOYAJ
Std. InChI: InChI=1S/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Std. InChIKey: IAMIOPHEADLKFT-UHFFFAOYSA-N
Product Categories: sulfide Flavor
S-Methyl 2-methylthiobutyrate Specification
S-Methyl 2-methylthiobutyrate (CAS No.42075-45-6), its synonyms are Butanethioic acid, 2-methyl-, S-methyl ester ; Methyl 2-methylthiobutyrate ; Methyl 2-methyl(thiobutyrate) ; Methylthiol 2-methylbutyrate .
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