Molecular Structure of Methyl thiobutyrate (CAS NO.2432-51-1):

IUPAC Name: S-Methyl butanethioate
Molecular Formula: C₅H₁₀OS
Molecular Weight: 118.1973 g/mol
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCC(=O)SC
InChI: InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey: GRLJIIJNZJVMGP-UHFFFAOYSA-N
Index of Refraction: 1.456
Molar Refractivity: 33.23 cm³
Molar Volume: 122.1 cm³
Surface Tension: 30.3 dyne/cm
Density: 0.967 g/cm³
Flash Point: 34.4 °C
Enthalpy of Vaporization: 37.86 kJ/mol
Boiling Point: 141.4 °C at 760 mmHg
Vapour Pressure: 5.87 mmHg at 25 °C
Water Solubility:  9515 mg/L at 25 °C
EINECS: 219-407-1
Appearance: clear yellow liquid
Product Categories: thioester Flavor

Safety Information of Methyl thiobutyrate (CAS NO.2432-51-1):
Hazard Codes: Xi
Risk Statements: 10-36/37/38
10: Flammable
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 16-26-36/37/39-37/39
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
37/39: Wear suitable gloves and eye/face protection
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

 Methyl thiobutyrate (CAS NO.2432-51-1), its Synonyms are Butanethioic acid, S-methyl ester ; Butyric acid, thio-, S-methyl ester ; Methanethiol butyrate ; Methanethiol n-butyrate ; Methyl thiobutyrate (natural) ; S-Methyl butanethioate ; S-Methyl thiobutyrate .