Molecular Structure of 3-(Methylthio)hexanal (CAS NO.38433-74-8):
IUPAC Name: 3-Methylsulfanylhexanal
Canonical SMILES: CCCC(CC=O)SC
InChI: InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3
InChIKey: VIVJHDGDCOQORO-UHFFFAOYSA-N
Molecular Weight: 146.25046 [g/mol]
Molecular Formula: C7H14OS
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 253-929-0
Index of Refraction: 1.459
Molar Refractivity: 42.62 cm3
Molar Volume: 155.7 cm3
Surface Tension: 31 dyne/cm
Density: 0.939 g/cm3
Flash Point: 76.9 °C
Enthalpy of Vaporization: 44.26 kJ/mol
Boiling Point: 206.3 °C at 760 mmHg
Vapour Pressure: 0.239 mmHg at 25 °C
Product Categories: sulfide Flavor
3-(Methylthio)hexanal (CAS NO.38433-74-8), its Synonyms are Hexanal,3-(methylthio)- ; FEMA 3877 ; 3-(Methylsulfanyl)hexanal .
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