2,3-Dimethylbutan-1-Ol
[CAS# 19550-30-2]

Identification

• Name: 2,3-Dimethylbutan-1-Ol
• Synonyms: Dimethylbutanol; 1-Butanol, 2,3-Dimethyl-; 2,3-Dimethyl-1-Butanol
• Molecular Formula: C₆H₁₄O
• Molecular Weight: 102.18
• CAS Registry Number: 19550-30-2
• EINECS: 243-153-0
• SMILES: C(C(C(C)C)C)O
• InChI: 1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
• InChIKey: SXSWMAUXEHKFGX-UHFFFAOYSA-N

Properties

• Density: 0.812g/cm³ (Cal.)
• Boiling point: 141.999°C at 760 mmHg (Cal.)
• Flash point: 38.627°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