CAS 50722-38-8|Trichothec-9-en-8-one,3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)-
| Common Name | Trichothec-9-en-8-one,3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)- | ||
|---|---|---|---|
| CAS Number | 50722-38-8 | Molecular Weight | 322.353 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 529.8±50.0 °C at 760 mmHg |
| Molecular Formula | C17H22O7 | Melting Point | 185.75°C |
| MSDS | ChineseUSA | Flash Point | 195.2±23.6 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | 3-Acetyldeoxynivalenol |
|---|---|
| Synonym | More Synonyms |
BiologicalActivity
| Description | 3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[1], is a blood-brain barrier (BBB) permeable mycotoxin[2]. |
|---|---|
| Related Catalog | Research Areas >>Cardiovascular DiseaseResearch Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Kadota T, et al. Comparative study of deoxynivalenol, 3-acetyldeoxynivalenol, and 15-acetyldeoxynivalenolon intestinal transport and IL-8 secretion in the human cell line Caco-2. Toxicol In Vitro. 2013 Sep;27(6):1888-95. [2]. Behrens M, et al. Blood-Brain Barrier Effects of the Fusarium Mycotoxins Deoxynivalenol, 3Acetyldeoxynivalenol, and Moniliformin and Their Transfer to the Brain. PLoS One. 2015 Nov 23;10(11):e0143640. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 529.8±50.0 °C at 760 mmHg |
| Melting Point | 185.75°C |
| Molecular Formula | C17H22O7 |
| Molecular Weight | 322.353 |
| Flash Point | 195.2±23.6 °C |
| Exact Mass | 322.141632 |
| PSA | 96.36000 |
| LogP | -0.85 |
| Vapour Pressure | 0.0±3.2 mmHg at 25°C |
| Index of Refraction | 1.598 |
| InChIKey | ADFIQZBYNGPCGY-HTJQZXIKSA-N |
| SMILES | CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)C(=O)C(O)C12CO |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S124,1984 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S124,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 47 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from small intestine
- REFERENCE :
- SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 15,261,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 59 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 24,985,1986
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300-H311-H331 |
| Precautionary Statements | P261-P264-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T: Toxic;F: Flammable;Xn: Harmful; |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S45;S36/S37 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | YD0150000 |
| Packaging Group | I |
| Hazard Class | 6.1(a) |
Articles39
More Articles| Development and validation of a high performance liquid chromatographic-mass spectrometry method for the simultaneous quantification of 10 trichothecenes in ultra-high temperature processed cow milk. J. Chromatogr. A. 1419 , 37-44, (2015) An LC-MS/MS (QqQ) method has been developed and validated for simultaneous determination of the following trichothecenes in UHT cow milk: nivalenol (NIV), deoxynivalenol (DON), deepoxy-deoxynivalenol ... | |
| Preliminary estimation of deoxynivalenol excretion through a 24 h pilot study. Toxins (Basel.) 7 , 705-18, (2015) A duplicate diet study was designed to explore the occurrence of 15 Fusarium mycotoxins in the 24 h-diet consumed by one volunteer as well as the levels of mycotoxins in his 24 h-collected urine. The ... | |
| Innate Immune Sensing of Fusarium culmorum by Mouse Dendritic Cells. J. Toxicol. Environ. Health A 78 , 871-85, (2015) Chronic inhalation of grain dust is associated with asthma and chronic bronchitis in grain worker populations. Exposure to fungal particles was postulated to be an important etiologic agent of these p... |
Synonyms
| MFCD00135964 |
| Trichothec-9-en-8-one, 3-acetyl-12,13-epoxy-7,15-dihydroxy-, (3β,5α,6β,7β,11β,12ξ)- |
| 3-acetyldeoxynivalenol |
| (2α,3β,5α,6β,7β,11β,12ξ)-3-Acetyl-7,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one |
