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469-83-0

Name CAFESTOL
CAS 469-83-0
Molecular Formula C20H28O3
MDL Number MFCD01075769
Molecular Weight 316.43
MOL File 469-83-0.mol
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Chemical Properties

Melting point  160-162℃ (分解) (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 Rotation -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)

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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