3-Hydroxy-15-Methylhexadecanoate
[CAS# 25491-28-5]

Identification

• Name: 3-Hydroxy-15-Methylhexadecanoate
• Synonyms: 3-Hydroxy-15-Methyl-Hexadecanoic Acid; 3-Hydroxy-15-Methyl-Palmitic Acid; 3-Hmhd
• Molecular Formula: C₁₇H₃₄O₃
• Molecular Weight: 286.45
• CAS Registry Number: 25491-28-5
• SMILES: C(C(=O)O)C(CCCCCCCCCCCC(C)C)O
• InChI: 1S/C17H34O3/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16(18)14-17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)
• InChIKey: QNQSVWWSUQHSNQ-UHFFFAOYSA-N

Properties

• Density: 0.948g/cm³ (Cal.)
• Boiling point: 413.998°C at 760 mmHg (Cal.)
• Flash point: 218.331°C (Cal.)

References

• (1): Mun JiYoung. Structural confirmation of the dihydrosphinganine and fatty acid constituents of the dental pathogen Porphyromonas gingivalis, Organic & Biomolecular Chemistry, 2007