2680-81-1

Name 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol
CAS 2680-81-1
Molecular Formula C20H22O4
MDL Number MFCD13194820
Molecular Weight 326.39
MOL File 2680-81-1.mol
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Chemical Properties

Melting point  133 °C
Boiling point  452.0±45.0 °C(Predicted)
density  1.160±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: ≥ 250 mg/mL (765.95 mM)
form  powder
pka 9.80±0.35(Predicted)
color  White
Major Application food and beverages
InChI 1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5-
InChIKey ITDOFWOJEDZPCF-WAYWQWQTSA-N
SMILES O1C(C(c3c1c(cc(c3)\C=C/C)OC)C)c2cc(c(cc2)O)OC
LogP 4.188 (est)

Safety Data

Safety Statements 
WGK Germany  WGK 3
HS Code  29329990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

Hazard Information

Spectrum Detail

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