Pentyl-alpha-sorbose
[CAS# 82734-92-7]

Identification

• Name: Pentyl-alpha-sorbose
• Synonyms: (3R,4S,5R)-2-(Hydroxymethyl)-2-Pentoxy-Tetrahydropyran-3,4,5-Triol; (3R,4S,5R)-2-(Hydroxymethyl)-2-Pentoxytetrahydropyran-3,4,5-Triol; (3R,4S,5R)-2-Amoxy-2-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₁H₂₂O₆
• Molecular Weight: 250.29
• CAS Registry Number: 82734-92-7
• SMILES: [C@H]1(O)C(OC[C@@H](O)[C@@H]1O)(OCCCCC)CO
• InChI: 1S/C11H22O6/c1-2-3-4-5-16-11(7-12)10(15)9(14)8(13)6-17-11/h8-10,12-15H,2-7H2,1H3/t8-,9+,10-,11?/m1/s1
• InChIKey: GVZJUMUDPZSVPG-GZBOUJLJSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 415.901°C at 760 mmHg (Cal.)
• Flash point: 205.33°C (Cal.)