Methyl 4-[(1E,3E,6E,9E)-Pentadeca-1,3,6,9-Tetraenyl]Sulfanylbutanoate
[CAS# 125197-83-3]

Identification

• Name: Methyl 4-[(1E,3E,6E,9E)-Pentadeca-1,3,6,9-Tetraenyl]Sulfanylbutanoate
• Synonyms: 4-[[(1E,3E,6E,9E)-Pentadeca-1,3,6,9-Tetraenyl]Thio]Butanoic Acid Methyl Ester; 4-[[(1E,3E,6E,9E)-Pentadeca-1,3,6,9-Tetraenyl]Thio]Butyric Acid Methyl Ester; M-5-Tectt
• Molecular Formula: C₂₀H₃₂O₂S
• Molecular Weight: 336.53
• CAS Registry Number: 125197-83-3
• SMILES: C(C(=O)OC)CCS\C=C\C=C\C\C=C\C\C=C\CCCCC
• InChI: 1S/C20H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h7-8,10-11,13-15,18H,3-6,9,12,16-17,19H2,1-2H3/b8-7+,11-10+,14-13+,18-15+
• InChIKey: BJKGFAXUOWQOOJ-CUAJQTIESA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 449.992°C at 760 mmHg (Cal.)
• Flash point: 205.832°C (Cal.)