4-((2-Furylmethyl)thio)-4-methylpentan-2-one

Base Information

• Chemical Name: 4-((2-Furylmethyl)thio)-4-methylpentan-2-one
• CAS No.: 64835-96-7
• Molecular Formula: C11H16O2S
• Molecular Weight: 212.31
• European Community (EC) Number: 265-249-1
• DSSTox Substance ID: DTXSID50867100
• Nikkaji Number: J286.596C
• Mol file: 64835-96-7.mol

Synonyms:64835-96-7;4-((2-Furylmethyl)thio)-4-methylpentan-2-one;4-[(2-FURYLMETHYL)THIO]-4-METHYLPENTAN-2-ONE;4-(furan-2-ylmethylsulfanyl)-4-methylpentan-2-one;2-Pentanone, 4-[(2-furanylmethyl)thio]-4-methyl-;EINECS 265-249-1;4-{[(Furan-2-yl)methyl]sulfanyl}-4-methylpentan-2-one;2-Pentanone, 4-((2-furanylmethyl)thio)-4-methyl-;SCHEMBL11393342;DTXSID50867100;4-methyl-4-furfurylthio-2-pentanone;4-Methyl-4-Furfurythio-2-Pentanone;AKOS015897605;BS-52194;FT-0659792;E79242;?4-((2-Furylmethyl)thio)-4-methylpentan-2-one;4-[(2-Furanylmethyl)thio]-4-methyl-2-pentanone;A834893;Q-100742

Chemical Property of 4-((2-Furylmethyl)thio)-4-methylpentan-2-one

Chemical Property:

• Vapor Pressure: 0.00125mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 298.7 ºC at 760 mmHg
• Flash Point: 134.5 ºC
• PSA: 55.51000
• Density: 1.068 g/cm³
• LogP: 3.27050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 212.08710092
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

4-((2-FURYLMETHYL)THIO)-4-METHYLPENTAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(C)(C)SCC1=CC=CO1