51481-10-8
Product Name:
DEOXYNIVALENOL
Formula:
C15H20O6
Synonyms:
DON;Vomitoxin;DON solution;RD-toxon;(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | Fine needles from ethyl acetate + petroleum ether |
| Melting Point | 151-153 °C |
| Solubility | Soluble to 30 nM in ethanol |
| Stability/Shelf Life | These toxins are heat and uv light stable... and capable of long-term storage... . /Trichothecenes/ |
| Optical Rotation | Specific optical rotation = +6.35 deg at 25 °C/D ( c = 0.07 in ethanol) |
| Decomposition | Hazardous decomposition products formed under fire conditions. - Carbon oxides |
| Collision Cross Section | 183 Ų [M+H3C2O2]- [CCS Type: TW, Method: calibrated with polyalanine] |
| Other Experimental Properties | Colorless, mostly crystalline solids that have been well characterized by physical and spectroscopic techniques. ... require higher polarity solvents, such as aqueous methanol or aqueous acetonitrile. /Trichothecenes/ |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H371:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 296.31 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 296.12598835 g/mol |
| Monoisotopic Mass | 296.12598835 g/mol |
| Topological Polar Surface Area | 99.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 558 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Deoxynivalenol is a trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. It has a role as a mycotoxin. It is a trichothecene, a cyclic ketone, a secondary alpha-hydroxy ketone, a primary alcohol, an enone and a triol.