(Heptylthio)Acetic Acid Ethyl Ester
[CAS# 40814-21-9]

Identification

• Name: (Heptylthio)Acetic Acid Ethyl Ester
• Synonyms: 2-(Heptylthio)Acetic Acid Ethyl Ester; Ethyl 2-Heptylsulfanylethanoate; Ethyl (Heptylthio)Acetate
• Molecular Formula: C₁₁H₂₂O₂S
• Molecular Weight: 218.35
• CAS Registry Number: 40814-21-9
• SMILES: C(SCCCCCCC)C(=O)OCC
• InChI: 1S/C11H22O2S/c1-3-5-6-7-8-9-14-10-11(12)13-4-2/h3-10H2,1-2H3
• InChIKey: CXYFAPWYLWMPID-UHFFFAOYSA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 280.909°C at 760 mmHg (Cal.)
• Flash point: 115.625°C (Cal.)