Molecular Structure of 1-Propanol,3-(methylthio)-, 1-acetate (CAS NO.16630-55-0):
IUPAC Name: 3-Methylsulfanylpropyl acetate
Molecular Formula: C6H12O2S
Molecular Weight: 148.2233
H bond acceptors: 2
Freely Rotating Bonds: 5
EINECS: 240-679-2
Product Categories: sulfide Flavor
Index of Refraction: 1.458
Molar Refractivity: 39.61 cm3
Molar Volume: 145 cm3
Surface Tension: 32.4 dyne/cm
Density: 1.022 g/cm3
Flash Point: 84.5 °C
Enthalpy of Vaporization: 44.19 kJ/mol
Boiling Point: 205.7 °C at 760 mmHg
Vapour Pressure: 0.247 mmHg at 25 °C
Canonical SMILES: CC(=O)OCCCSC
InChI: InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
InChIKey: LPZQTNIAYMRVMF-UHFFFAOYSA-N
1-Propanol,3-(methylthio)-, 1-acetate (CAS NO.16630-55-0), its Synonyms are 3-(Methylthio)propyl acetate ; 1-Propanol, 3-(methylthio)-, acetate ; 3-Acetoxypropyl methyl sulfide ; Acetic acid 3-(methylthio)propyl ester ; Methionyl acetate .
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