5-Methylheptyl 3-Sulfanylpropanoate
[CAS# 41004-47-1]

Identification

• Name: 5-Methylheptyl 3-Sulfanylpropanoate
• Synonyms: 3-Mercaptopropanoic Acid 5-Methylheptyl Ester; 3-Mercaptopropionic Acid 5-Methylheptyl Ester
• Molecular Formula: C₁₁H₂₂O₂S
• Molecular Weight: 218.35
• CAS Registry Number: 41004-47-1
• EINECS: 255-173-7
• SMILES: C(S)CC(OCCCCC(CC)C)=O
• InChI: 1S/C11H22O2S/c1-3-10(2)6-4-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3
• InChIKey: WSEANFMTJISBJG-UHFFFAOYSA-N

Properties

• Density: 0.958g/cm³ (Cal.)
• Boiling point: 285.94°C at 760 mmHg (Cal.)
• Flash point: 148.404°C (Cal.)