23282-20-4
Product Name:
NIVALENOL
Formula:
C15H20O7
Synonyms:
3α,4β,7α, 15-Tetrahydroxy-12,13-epoxytrichothec-9-en-8-one;NIV;Nivalenol solution
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | Crystals from methanol |
| Melting Point | 222-223 °C, decomposes |
| Solubility | Soluble in polar organic solvents |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +21.54 deg at 20 °C/D |
| Decomposition | Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx) |
| Collision Cross Section | 180 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 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 312.31 g/mol |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 312.12090297 g/mol |
| Monoisotopic Mass | 312.12090297 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 588 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one is a natural product found in Fusarium culmorum, Fusarium graminearum, and Fusarium tricinctum with data available.