3-Mercaptohexyl butyrate

• CAS: 136954-21-7
• Catalog Number: ACM136954217
• Category: Other Products
• Molecular Weight: 204.33
• Molecular Formula: C₁₀H₂₀O₂S
• Synonyms: Butanoic acid, 3-mercaptohexyl ester
• IUPAC Name: 3-Sulfanylhexyl butanoate
• Canonical SMILES: CCCC(CCOC(=O)CCC)S
• InChI: InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3
• InChI Key: TZNJKOLXWHXDAF-UHFFFAOYSA-N
• Boiling Point: 272.9±23.0 °C
• Density: 0.966±0.06 g/cm³
• Solubility: Insoluble in water; soluble in ethanol and heptane
• Exact Mass: 204.11840105
• Monoisotopic Mass: 204.11840105
• Physical State: Liquid
• Refractive Index: n20/D 1.459-1.469(lit.)
• Topological Polar Surface Area: 27.3 Ų