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OCHRATOXIN B Structure

OCHRATOXIN B

Chemical Properties

Melting point 221° (van der Merwe)
alpha  D -35° (c = 0.15 in ethanol)
Boiling point 632.4±55.0 °C(Predicted)
Density  1.361±0.06 g/cm3(Predicted)
Flash point -11 °C
storage temp.  2-8°C
solubility  DMF: 10 mg/ml; DMSO: 15 mg/ml; Ethanol: 50 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.50 mg/ml
form  A crystalline solid
pka 3.40±0.10(Predicted)
color  White to off-white
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1
InChIKey DAEYIVCTQUFNTM-ABAIWWIYSA-N
SMILES C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1
EPA Substance Registry System L-Phenylalanine, N-[[(3R)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]- (4825-86-9)

Safety Information

Hazard Codes  Xn,T,F
Risk Statements  22-36/37/38-65-48/23/24/25-36/38-11-46-45-36-20/21/22
Safety Statements  26-36-45-16-53-36/37-62
RIDADR  UN 3462 6.1/PG 3
WGK Germany  3
RTECS  AY6825000
HazardClass  6.1(a)
PackingGroup  I
HS Code  39229000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Hazardous Substances Data 4825-86-9(Hazardous Substances Data)

MSDS

Usage And Synthesis

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