67879-58-7

Name CAFTARIC ACID
CAS 67879-58-7
Molecular Formula C13H12O9
MDL Number MFCD02094177
Molecular Weight 312.23
MOL File 67879-58-7.mol

Chemical Properties

Melting point  124~125℃
Boiling point  618.2±55.0 °C(Predicted)
density  1.694±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Methanol (Slightly), Water (Slightly, Heated, Sonicated)
form  neat
pka 2.18±0.25(Predicted)
color  White to Pale Beige
Odor at 100.00?%. odorless
Stability: Hygroscopic
Major Application food and beverages
InChI 1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
InChIKey SWGKAHCIOQPKFW-JTNORFRNSA-N
SMILES O[C@H]([C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O
LogP 1.147 (est)

Safety Data

WGK Germany  3
HS Code  2918290000
Storage Class 11 - Combustible Solids

Hazard Information

Supplier