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Deoxynivalenol
Deoxynivalenol / CAS : 51481-10-8
| Appearance | solution (ethanol: 2-propanol 95:5) | UN | 2811 6.1/PG 2 |
| HS | 2932999099 | DG Class | 6.1(a) |
| Synonyms | Vomitoxin; Dehydronivalenol; 4-Deoxynivalenol; 4-Desoxynivalenol; Desoxynivalenol; 3Alpha,7Alpha,15-Trihydroxy-12,13-Epoxytrichothec-9-EN-8-ONE; (3beta,7Alpha)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-En-8-One; Trichothec-9-en-8-one, 12,13-Epoxy-3,7,15-Trihydroxy-, (3a,7a)-; (3Alpha,7Alpha)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-en-8-one; 12,13-Epoxy-3-Alpha,7-Alpha,15-Trihydroxy-9-Trichothecen-8-one; (3beta,7Alpha,12R)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-en-8-one; Trichothec-9-en-8-one, 12,13-Epoxy-3,7,15-Trihydroxy-, (3-Alpha,7-Alpha)-; 3α,7α,15-Trihydroxy-12,13-Epoxytrichothec-9-en-8-one; 4-Deoxynivalenol in Acetonitrile, IRMM(R) Certified Reference Material; (1R,2R,3S,7R,9R,10R,12S)-3,10-Dihydroxy-2-(Hydroxymethyl)-1,5-Dimethylspiro[8-Oxatricyclo[7.2.1.02,7]Dodec-5-ene-12,2'-Oxirane]-4-one; DON; (3α,7α)-12,13-Epoxy-3,7,15-Trihydroxytrichothec-9-en-8-one; 12,13-Epoxy-3,7,15-Trihydroxy-,(3-Alpha,7-Alpha)-Trichothec-9-en-8-on; (3β,7α)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-en-8-one; Trichothec-9-en-8-one, 12,13-Epoxy-3,7,15-Trihydroxy-, (2α,3α,6β,7β,11β,12α)-; Trichothec-9-en-8-one, 12,13-Epoxy-3,7,15-Trihydroxy-, (3α,7α)- | ||
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Properties
Summary
Formula
C15H20O6
Molecular Mass
296.31600
Exact Mass
296.12600
PSA
99.52000
Logp
-0.83770
IUPAC
(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
SMILES
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Chemical and Physical Properties
Melting Point
151-153ºC
Density
1.48g/cm3
Boiling Point
543.9ºC at 760mmHg
Flash Point
206.9ºC
Appearance
solution (ethanol: 2-propanol 95:5)
Export information
HS Code
2932999099
Export Rebate
9%/13%
UN No.
2811 6.1/PG 2
DG-Class
6.1(a)
Risk Code
R25; R68/20/21/22; R67; R66; R36; R20/21/22; R11; R36/37/38
Safety Label
T; Xn; F; Xi
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