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Dihydrocaffeic acid Structure

Dihydrocaffeic acid

Chemical Properties

Melting point 136-139 °C(lit.)
Boiling point 418℃
Density  1.398
Flash point 220℃
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.75±0.10(Predicted)
color  Pale Beige to Pale Brown
Water Solubility  Slightly soluble in water.
BRN  2213449
InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=C(O)C(O)=C1
LogP 0.115 (est)
CAS DataBase Reference 1078-61-1(CAS DataBase Reference)
FDA UNII MSW0228VUB

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  MW5143500
NFPA 704:
0
2 0

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