3-Mercaptohexyl hexanoate

• CAS: 136954-22-8
• Catalog Number: ACM136954228
• Category: Other Products
• Molecular Weight: 232.38
• Molecular Formula: C₁₂H₂₄O₂S
• Synonyms: Hexanoic acid, 3-mercaptohexyl ester
• IUPAC Name: 3-Sulfanylhexyl hexanoate
• Canonical SMILES: CCCCCC(=O)OCCC(CCC)S
• InChI: InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
• InChI Key: KVXKOWZLYWBURN-UHFFFAOYSA-N
• Boiling Point: 307.6±25.0 °C
• Density: 0.950±0.06 g/cm³
• Solubility: Insoluble in water; soluble in 50% heptane and ethanol, 10% triacetin
• Exact Mass: 232.14970118
• Monoisotopic Mass: 232.14970118
• Physical State: Liquid
• Refractive Index: n20/D 1.4595-1.4695(lit.)
• Topological Polar Surface Area: 27.3 Ų