1,2,3,4,5-Cyclohexanepentol
[CAS# 131435-06-8]

Identification

• Name: 1,2,3,4,5-Cyclohexanepentol
• Synonyms: (+)-epi-Quercitol; (1r,2s,4r,5s)-cyclohexane-1,2,3,4,5-pentol; 1,2,3,4,5-Cyclohexanepentol #
• Molecular Formula: C₆H₁₂O₅
• Molecular Weight: 164.16
• CAS Registry Number: 131435-06-8
• SMILES: C1C(C(C(C(C1O)O)O)O)O
• InChI: 1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2
• InChIKey: IMPKVMRTXBRHRB-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 293.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 146.2±21.9°C (Cal.)
• Refractive index: 1.708 (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