2,4-Dimethyl-1-Pentanol
[CAS# 6305-71-1]

Identification

• Name: 2,4-Dimethyl-1-Pentanol
• Synonyms: Nsc 41179; 1-Pentanol, 2,4-Dimethyl-, (.+/-.)-; 1-Pentanol, 2,4-Dimethyl-
• Molecular Formula: C₇H₁₆O
• Molecular Weight: 116.20
• CAS Registry Number: 6305-71-1
• SMILES: C(O)C(CC(C)C)C
• InChI: 1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3
• InChIKey: OVOVDHYEOQJKMD-UHFFFAOYSA-N

Properties

• Density: 0.816g/cm³ (Cal.)
• Boiling point: 160.999°C at 760 mmHg (Cal.)
• Flash point: 51.647°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493