2,3-Dimethylpentan-2-Ol
[CAS# 4911-70-0]

Identification

• Name: 2,3-Dimethylpentan-2-Ol
• Synonyms: 2-Pentanol, 2,3-Dimethyl- (8Ci)(9Ci); Nsc 27243
• Molecular Formula: C₇H₁₆O
• Molecular Weight: 116.20
• CAS Registry Number: 4911-70-0
• EINECS: 225-538-5
• SMILES: C(C(C(C)(C)O)C)C
• InChI: 1S/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3
• InChIKey: YRSIFCHKXFKNME-UHFFFAOYSA-N

Properties

• Density: 0.818g/cm³ (Cal.)
• Boiling point: 138.335°C at 760 mmHg (Cal.)
• Flash point: 42.322°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