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Name |
3-(Methylthio)hexanal |
EINECS | 253-929-0 |
CAS No. | 38433-74-8 | Density | 0.939 g/cm3 |
PSA | 42.37000 | LogP | 2.10710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H14OS | Boiling Point | 206.33 °C at 760 mmHg |
Molecular Weight | 146.254 | Flash Point | 76.863 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hexanal,3-(methylthio)-; |
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 .