13-Methyltetradecanoic Acid
[CAS# 2485-71-4]

Identification

• Classification: Analytical chemistry >> Food safety >> Fatty acid, fatty acid methyl ester
• Name: 13-Methyltetradecanoic Acid
• Synonyms: 13-Methylmyristic Acid; 13-Methyl Tetradecanoic Acid; Isopentadecanoic Acid
• Molecular Formula: C₁₅H₃₀O₂
• Molecular Weight: 242.40
• CAS Registry Number: 2485-71-4 (27836-87-9)
• SMILES: C(C(C)C)CCCCCCCCCCC(O)=O
• InChI: 1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
• InChIKey: ZOCYQVNGROEVLU-UHFFFAOYSA-N

Properties

• Density: 0.894g/cm³ (Cal.)
• Boiling point: 355.477°C at 760 mmHg (Cal.)
• Flash point: 197.369°C (Cal.)

References

• (1): Angela A. Salim, James Rae, Frank Fontaine, Melissa M. Conte, Zeinab Khalil, Sally Martin, Robert G. Parton and Robert J. Capon. Heterofibrins: inhibitors of lipid droplet formation from a deep-water southern Australian marine sponge, Spongia (Heterofibria) sp., Org. Biomol. Chem., 2010, 8, 3188.