(3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-One
[CAS# 73952-11-1]

Identification

• Name: (3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-One
• Synonyms: Zinc02504706; Tagatose, D-
• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16
• CAS Registry Number: 73952-11-1 (17598-81-1)
• EINECS: 201-772-3
• SMILES: [C@@H](CO)([C@@H]([C@@H](C(CO)=O)O)O)O
• InChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
• InChIKey: BJHIKXHVCXFQLS-PQLUHFTBSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 134-135°C (Expl.)
• Boiling point: 551.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 301.5±26.6°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Joseph B. BinderPresent address: Energy Biosciences Institute, University of California, Berkeley, California, 94720, USA., Anthony V. Cefali, Jacqueline J. Blank and Ronald T. Raines. Mechanistic insights on the conversion of sugars into 5-hydroxymethylfurfural, Energy Environ. Sci., 2010, 3, 765.