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42075-45-6

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Basic Information
CAS No.: 42075-45-6
Name: S-Methyl 2-methylthiobutyrate
Molecular Structure:
Molecular Structure of 42075-45-6 (S-Methyl 2-methylthiobutyrate)
Formula: C6H12 O S
Molecular Weight: 132.227
Synonyms: S-Methyl2-methylbutanethioate
EINECS: 255-648-9
Density: 0.95 g/cm3
Boiling Point: 158.1 °C at 760 mmHg
Flash Point: 44 °C
Solubility: insoluble in water; soluble in fats and alcohols
Appearance: Colorless to Slight yellow liquild
PSA: 42.37000
LogP: 1.92210
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Chemistry

Molecular Structure of S-Methyl 2-methylthiobutyrate (CAS No.42075-45-6):
 
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

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 .