3-(Methylthio)propyl acetate

• CAS: 16630-55-0
• Catalog Number: ACM16630550
• Category: Other Products
• Molecular Weight: 148.23
• Molecular Formula: C₆H₁₂O₂S
• Synonyms: Acetic acid 3-(methylthio)propyl ester
• IUPAC Name: 3-Methylsulfanylpropyl acetate
• Canonical SMILES: CC(=O)OCCCSC
• InChI: InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
• InChI Key: LPZQTNIAYMRVMF-UHFFFAOYSA-N
• Boiling Point: 96 °C
• Density: 1.041 g/cm³
• Solubility: Very slightly soluble in water; soluble in alcohol and oils
• Exact Mass: 148.05580079
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Monoisotopic Mass: 148.05580079
• Odor: Fatty, estery odor
• Physical State: Liquid
• Refractive Index: n20/D 1.4610-1.4650(lit.)
• Topological Polar Surface Area: 51.6 Ų