(1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol
[CAS# 488-54-0]

Identification

• Name: (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol
• Synonyms: (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; 1,2,3/4,5,6-cyclohexanehexol
• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16
• CAS Registry Number: 488-54-0
• SMILES: [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O
• InChI: 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6-
• InChIKey: CDAISMWEOUEBRE-DCLYFUHFSA-N

Properties

• Density: 2.0±0.1g/cm³ (Cal.)
• Boiling point: 291.3±40.0°C at 760 mmHg (Cal.)
• Flash point: 143.4±21.9°C (Cal.)

References

• (1): Arnaud Bonnet, James Chisholm, W. D. Sam Motherwell and William Jones. Hydrogen bonding preference of equatorial versus axial hydroxyl groups in pyran and cyclohexane rings in organic crystals, CrystEngComm, 2005, 7, 71.