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Zearalenone Structure

Zearalenone

Chemical Properties

Melting point 164-165°C
alpha  25546 -170.5° (c = 1.0 in CH3OH)
Boiling point 377.53°C (rough estimate)
Density  1.1270 (rough estimate)
refractive index  1.6120 (estimate)
Flash point 6 °C
storage temp.  2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml; Ethanol: 20 mg/ml
pka 7.58±0.40(Predicted)
form  Solid
color  Off-white
Merck  13,10169
BRN  1350216
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
InChIKey MBMQEIFVQACCCH-QBODLPLBSA-N
SMILES OC1=C(C(O[C@@H](C)CCC2)=O)C(/C=C/CCCC2=O)=CC(O)=C1
LogP 3.830 (est)
CAS DataBase Reference 17924-92-4(CAS DataBase Reference)
EPA Substance Registry System Zearalenone (17924-92-4)

Safety Information

Hazard Codes  C,Xn,F
Risk Statements  34-62-63-36-20/21/22-11
Safety Statements  26-36/37/39-45-36-16-36/37
RIDADR  UN 3261 8/PG 2
WGK Germany  3
RTECS  DM2550000
10
TSCA  TSCA listed
HS Code  29322090
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 17924-92-4(Hazardous Substances Data)

Usage And Synthesis

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