Isotridecyl Isononanoate
[CAS# 42131-27-1]

Identification

• Name: Isotridecyl Isononanoate
• Synonyms: 7-Methyloctanoic Acid 11-Methyldodecyl Ester; 7-Methylcaprylic Acid 11-Methyldodecyl Ester
• Molecular Formula: C₂₂H₄₄O₂
• Molecular Weight: 340.59
• CAS Registry Number: 42131-27-1
• EINECS: 255-673-5
• SMILES: C(C(OCCCCCCCCCCC(C)C)=O)CCCCC(C)C
• InChI: 1S/C22H44O2/c1-20(2)16-12-9-7-5-6-8-10-15-19-24-22(23)18-14-11-13-17-21(3)4/h20-21H,5-19H2,1-4H3
• InChIKey: SKMJTOFLXWKGKH-UHFFFAOYSA-N

Properties

• Density: 0.86g/cm³ (Cal.)
• Boiling point: 374.167°C at 760 mmHg (Cal.)
• Flash point: 191.952°C (Cal.)