IUPAC Name: 4-Methyl-4-methylsulfanylpentan-2-one

Molecular Formula: C₇H₁₄OS
Molecular Weight: 146.25g/mol
Mol File: 23550-40-5.mol
EINECS: 245-727-6
Index of Refraction: 1.459
Molar Refractivity: 42.47 cm³
Molar Volume: 155.2 cm³
Boiling point: 202.4 °C at 760 mmHg
Flash Point: 73.5 °C
Density: 0.942 g/cm³
Surface Tension: 29.4 dyne/cm
Enthalpy of Vaporization: 43.86 kJ/mol
Vapour Pressure: 0.293 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 2-Pentanone,4-methyl-4-(methylthio)- (CAS NO.23550-40-5):
Canonical SMILES: CC(=O)CC(C)(C)SC
InChI: InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3  
InChIKey: DHANVOSHQILVNQ-UHFFFAOYSA-N
Product Categories: sulfide Flavor; Alphabetical Listings; Flavors and Fragrances; M-N

Safety Information of 2-Pentanone,4-methyl-4-(methylthio)- (CAS NO.23550-40-5):
Risk Statements: 36/37/38  
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36/37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection  
RIDADR: 1224
WGK Germany: 3
PackingGroup: II

 2-Pentanone,4-methyl-4-(methylthio)- , its CAS NO. is 23550-40-5, the synonyms are 4-(Methylthio)-4-methyl-2-pentanone ; 4-Methyl-4-(methylthio)-2-pentanone ; 4-Methylmercapto-4-methylpentan-2-one ; FEMA No. 3376 .