trans-caffeic acid Structure

trans-caffeic acid

Chemical Properties

Melting point 211-213 °C (dec.)(lit.)
Boiling point 416.8±35.0 °C(Predicted)
Density  1.478±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
solubility  ethanol: 50 mg/mL
form  powder
pka 4.58±0.10(Predicted)
color  yellow to tan
BRN  1954563
Major Application food and beverages
InChI 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
LogP 1.420 (est)
CAS DataBase Reference 501-16-6(CAS DataBase Reference)
FDA UNII U2S3A33KVM
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Health Hazard (GHS08)
Signal wordWarning
Hazard statements H351
Precautionary statements P201-P308+P313
Hazard Codes  Xn
Risk Statements  36/37/38-40-63-68-36
Safety Statements  26-36/37/39-36/37
WGK Germany  3
RTECS  GD8950000
Storage Class 11 - Combustible Solids
Hazard Classifications Carc. 2

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trans-caffeic acid Chemical Properties,Usage,Production

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trans-caffeic acid Spectrum