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CAS No.: 64835-96-7
Name: 4-((2-Furylmethyl)thio)-4-methylpentan-2-one
Molecular Structure:
Molecular Structure of 64835-96-7 (4-((2-Furylmethyl)thio)-4-methylpentan-2-one)
Formula: C11H16O2S
Molecular Weight: 212.31
Synonyms: 4-Methyl-4-furfurylthio-2-pentanone;2-Pentanone,4-[(2-furanylmethyl)thio]-4-methyl-;4-(Furfurylthio)-4-methyl-2-pentanone;
EINECS: 265-249-1
Density: 1.068 g/cm3
Boiling Point: 298.7 ºC at 760 mmHg
Flash Point: 134.5 ºC
PSA: 55.51000
LogP: 3.27050
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Chemistry

Molecular Structure of 4-((2-Furylmethyl)thio)-4-methylpentan-2-one (CAS NO.64835-96-7):

IUPAC Name: 4-(Furan-2-ylmethylsulfanyl)-4-methylpentan-2-one
Canonical SMILES: CC(=O)CC(C)(C)SCC1=CC=CO1
InChI: InChI=1S/C11H16O2S/c1-9(12)7-11(2,3)14-8-10-5-4-6-13-10/h4-6H,7-8H2,1-3H3
InChIKey: NTTNPAOBBWQSPN-UHFFFAOYSA-N
Molecular Weight: 212.30854 [g/mol]
Molecular Formula: C11H16O2S
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 265-249-1 
Index of Refraction: 1.508
Molar Refractivity: 59.25 cm3
Molar Volume: 198.7 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.068 g/cm3
Flash Point: 134.5 °C
Enthalpy of Vaporization: 53.86 kJ/mol
Boiling Point: 298.7 °C at 760 mmHg
Vapour Pressure: 0.00125 mmHg at 25 °C
FEMA: 3840
Product Categories: sulfide Flavor

Specification

 4-((2-Furylmethyl)thio)-4-methylpentan-2-one (CAS NO.64835-96-7), its Synonyms are 2-Pentanone, 4-((2-furanylmethyl)thio)-4-methyl- ; 4-Methyl-4-furfurylthio-2-pentanone ; 4-(Furfurylthio)-4-methyl-2-pentanone .