21259-20-1
Product Name:
T-2 TOXIN
Formula:
C24H34O9
Synonyms:
12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate;4β,15-Diacetoxy-3α-hydroxy-8α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] White powder; [MSDSonline] |
|---|---|
| Color/Form | White needles from benzene & Skellysolve B; acetate deriv: amorphous solid from ether & pentane |
| Melting Point | 151-152 °C |
| Solubility | Freely soluble in ethyl alcohol, ethyl acetate, chloroform, DMSO, and other organic solvents; slightly sol in petroleum ether; very slightly soluble in water. |
| Stability/Shelf Life | Stable in the solid form |
| Optical Rotation | Specific optical rotation: (c = 2.58 in ethanol): +15 °C at 26 °C/D |
| Decomposition | Hazardous decomposition products formed under fire conditions. - Carbon oxides |
| Collision Cross Section | 214 Ų [M+NH4]+ [CCS Type: TW, Method: calibrated with polyalanine] |
| Other Experimental Properties | Ester groups are saponified by alkalis, and the epoxide is opened by strong mineral acids |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P262:Do not get in eyes, on skin, or on clothing. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 466.5 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 466.22028266 g/mol |
| Monoisotopic Mass | 466.22028266 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 881 |
| 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
T-2 toxin is a trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals. It has a role as a mycotoxin, a cardiotoxic agent, a neurotoxin, an environmental contaminant, an apoptosis inducer, a DNA synthesis inhibitor and a fungal metabolite. It is a trichothecene, an acetate ester and an organic heterotetracyclic compound. It is functionally related to a HT-2 toxin.