Product Name

  • Name

    3-ACETYLDEOXYNIVALENOL

  • EINECS 200-835-2
  • CAS No. 50722-38-8
  • Article Data2
  • CAS DataBase
  • Density 1.42g/cm3
  • Solubility
  • Melting Point 185.75°C
  • Formula C17H22 O7
  • Boiling Point 518.8 ºC
  • Molecular Weight 338.357
  • Flash Point 189.3 ºC
  • Transport Information
  • Appearance white crystalline powder
  • Safety Poison by ingestion and intraperitoneal routes.
  • Risk Codes 23/24/25-36-20/21/22-11
  • Molecular Structure Molecular Structure of 50722-38-8 (3-ACETYLDEOXYNIVALENOL)
  • Hazard Symbols ToxicTFlammableFHarmfulXn
  • 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
  • PSA 96.36000
  • LogP 0.00660

3-Acetyldeoxynivalenol Chemical Properties

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

3-Acetyldeoxynivalenol Toxicity Data With Reference

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.

3-Acetyldeoxynivalenol Safety Profile

Poison by ingestion and intraperitoneal routes.

3-Acetyldeoxynivalenol Specification

 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)- .

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