Thymol-beta-D-Glucopyranoside
[CAS# 20772-23-0]

Identification

• Name: Thymol-beta-D-Glucopyranoside
• Synonyms: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Isopropyl-5-Methyl-Phenoxy)Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Isopropyl-5-Methylphenoxy)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-(2-Isopropyl-5-Methyl-Phenoxy)-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₆H₂₄O₆
• Molecular Weight: 312.36
• CAS Registry Number: 20772-23-0
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=C(C=CC(=C2)C)C(C)C
• InChI: 1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
• InChIKey: GKQGIQVSMCHAFX-IBEHDNSVSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 517.398°C at 760 mmHg (Cal.)
• Flash point: 266.713°C (Cal.)