3,4,4-Trimethyl-3-Pentanol
[CAS# 7294-05-5]

Identification

• Name: 3,4,4-Trimethyl-3-Pentanol
• Synonyms: 3,4,4-Trimethyl-3-Pentanol; 2,2,3-Trimethyl-3-Pentanol
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• CAS Registry Number: 7294-05-5
• EINECS: 230-727-0
• SMILES: C(C(O)(C(C)(C)C)C)C
• InChI: 1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3
• InChIKey: KLIHWYNSISMOMR-UHFFFAOYSA-N

Properties

• Density: 0.823g/cm³ (Cal.)
• Boiling point: 145.006°C at 760 mmHg (Cal.)
• Flash point: 46.195°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