Cafestol , ≥98% , 469-83-0

CAS NO.：469-83-0

Empirical Formula: C20H28O3

Molecular Weight: 316.43

MDL number: MFCD01075769

PRODUCT Properties

• Melting point: 160-162℃ (Decomposition) (ethyl ether pentane )
• alpha: D -101°
• Boiling point: 468.6±45.0 °C(Predicted)
• Density: 1.23±0.1 g/cm3 (20 ºC 760 Torr)
• RTECS: PB9185090
• storage temp.: -20°C Freezer, Under inert atmosphere
• solubility: Soluble in dichlormethane, DMSO or ethanol
• form: White to off-white solid.
• pka: 14.44±0.40(Predicted)
• color: Off-White to Light Beige
• optical activity: -9724 (CHCl3)
• Major Application: food and beverages
• InChI: 1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
• InChIKey: DNJVYWXIDISQRD-HWUKTEKMSA-N
• SMILES: [o]1c2c(cc1)[C@@H]3[C@]([C@H]4[C@]5(C[C@H]([C@@](C5)(O)CO)CC4)CC3)(CC2)C
• LogP: 4.234 (est)

Description and Uses

Natural extract from coffee beans which induces glutathione S-transferase

Safety

• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids