3,7,11,15-Tetramethylhexadecan-1-Ol
[CAS 645-72-7]

Identification

• Name: 3,7,11,15-Tetramethylhexadecan-1-Ol
• Synonyms: 1-Hexadecanol, 3,7,11,15-Tetramethyl-; 3,7,11,15-Tetramethyl-1-Hexadecanol; Ai3-36486
• Molecular Formula: C₂₀H₄₂O
• Molecular Weight: 298.55
• CAS Registry Number: 645-72-7
• EINECS: 211-453-0
• SMILES: C(C(CCCC(CCO)C)C)CCC(CCCC(C)C)C
• InChI: 1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
• InChIKey: AJAKLDUGVSKVDG-UHFFFAOYSA-N

Properties

• Density: 0.835g/cm³ (Cal.)
• Boiling point: 343.565°C at 760 mmHg (Cal.)
• Flash point: 154.266°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370