3-Methyl-Butanethioic Acid S-(1-Methylethyl) Ester
[CAS# 34322-06-0]

Identification

• Name: 3-Methyl-Butanethioic Acid S-(1-Methylethyl) Ester
• Synonyms: S-Isopropyl 3-Methylbutanethioate; 3-Methylbutanethioic Acid S-Isopropyl Ester; 3-Methylthiobutyric Acid, S-Isopropyl Ester
• Molecular Formula: C₈H₁₆OS
• Molecular Weight: 160.27
• CAS Registry Number: 34322-06-0
• EINECS: 251-936-3
• SMILES: C(C(SC(C)C)=O)C(C)C
• InChI: 1S/C8H16OS/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3
• InChIKey: KMXYCSRBFGUVHW-UHFFFAOYSA-N

Properties

• Density: 0.93g/cm³ (Cal.)
• Boiling point: 196.48°C at 760 mmHg (Cal.)
• Flash point: 63.24°C (Cal.)