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CAS No.: | 50722-38-8 |
---|---|
Name: | 3-ACETYLDEOXYNIVALENOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H22 O7 |
Molecular Weight: | 338.357 |
Synonyms: | Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane],trichothec-9-en-8-one deriv.; 3-Acetyldeoxynivalenol; 3a-Acetoxy-12,13-epoxytrichothec-9-en-8-one;DON 3-acetate; Dehydronivalenol monoacetate; Deoxynivalenol 3-acetate;Deoxynivalenol monoacetate; Monoacetyldeoxynivalenol; NSC 267036 |
EINECS: | 200-835-2 |
Density: | 1.42g/cm3 |
Melting Point: | 185.75°C |
Boiling Point: | 518.8 ºC |
Flash Point: | 189.3 ºC |
Appearance: | white crystalline powder |
Hazard Symbols: | TFXn |
Risk Codes: | 23/24/25-36-20/21/22-11 |
Safety: | Poison by ingestion and intraperitoneal routes. |
PSA: | 96.36000 |
LogP: | 0.00660 |
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Empirical Formula of 3-Acetyldeoxynivalenol (CAS NO.50722-38-8): C17H22O7
Molecular Weight: 338.3524 g/mol
Index of Refraction: 1.595
Density: 1.42 g/cm3
Flash Point: 189.3 °C
Enthalpy of Vaporization: 91.08 kJ/mol
Boiling Point: 518.8 °C at 760 mmHg
Vapour Pressure: 6.23E-13 mmHg at 25 °C
Structure of 3-Acetyldeoxynivalenol (CAS NO.50722-38-8):
Canonical SMILES: CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO
InChI: InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3
InChIKey: ADFIQZBYNGPCGY-UHFFFAOYSA-N
1. | skn-gpg 3384 ng MLD | FAATDF Fundamental and Applied Toxicology. 4 (2, Pt 2),(1984),S124. | ||
2. | orl-mus LD50:34 mg/kg | FAATDF Fundamental and Applied Toxicology. 4 (2, Pt 2),(1984),S124. | ||
3. | ipr-mus LD50:47 mg/kg | 41KEAL Toxicology, Biochemistry and Pathology of Mycotoxins ,Uraguchi, K. andM. Yamazaki, eds.,New York, NY.: Wiley,1978,108. |
Poison by ingestion and intraperitoneal routes.
3-Acetyldeoxynivalenol (CAS NO.50722-38-8) also can be called 3-Acetyl don ; Dehydronivalenol monoacetate ; and Trichothec-9-en-8-one, 3-(acetyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)- .