Product Name

  • Name

    3-A-ACETYLDIACETOXYSCIRPENOL

  • EINECS
  • CAS No. 4297-61-4
  • Article Data8
  • CAS DataBase
  • Density 1.291g/cm3
  • Solubility
  • Melting Point
  • Formula C21H28O8
  • Boiling Point 477.352°C at 760 mmHg
  • Molecular Weight 408.49
  • Flash Point 206.022°C
  • Transport Information
  • Appearance
  • Safety A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 4297-61-4 (3-A-ACETYLDIACETOXYSCIRPENOL)
  • Hazard Symbols A poison by ingestion.
  • Synonyms triacetoxyscirpenol;3,4,15-triacetoxyscirpene;3,4,15-Triacetoxy-scirpen;3,4,15-TRIACETOXYSCIRPENOL;triacetoxyscirpene;
  • PSA 100.66000
  • LogP 1.69570

Triacetoxyscirpenol Chemical Properties

Systematic Name: (3beta,4alpha,11xi,12xi)-12,13-Epoxytrichothec-9-ene-3,4,15-triyl triacetate
Synonyms of Triacetoxyscirpenol (CAS NO.4297-61-4): 3-Acetyl DAS ; 3alpha,4beta,15-Triacetoxy-12,13-epoxytrichothec-9-ene Acetylanguidine ; Anguidine, acetyl(triacetoxyscirpene) ; Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, triacetate
InChI: InChI=1/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15?,16-,17-,18-,19-,20-,21?/m1/s1
CAS NO: 4297-61-4
Molecular Formula: C21H28O8
Molecular Weight : 408.4422
Molecular Structure:
H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 100.66 Å2
Index of Refraction: 1.543
Molar Refractivity: 99.78 cm3
Molar Volume: 316.4 cm3
Surface Tension: 48.4 dyne/cm
Density: 1.29 g/cm3
Flash Point: 206 °C
Enthalpy of Vaporization: 74.12 kJ/mol
Boiling Point: 477.4 °C at 760 mmHg
Vapour Pressure: 2.82E-09 mmHg at 25°C

Triacetoxyscirpenol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 7200ug/kg (7.2mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE

SKIN AND APPENDAGES (SKIN): NAILS: OTHER		 Poultry Science. Vol. 69, Pg. 397, 1990.

Triacetoxyscirpenol Safety Profile

RIDADR: 3172
HazardClass: 6.1(a)
PackingGroup: I
A poison by ingestion. When Triacetoxyscirpenol (CAS NO.4297-61-4) is heated to decomposition ,it emits acrid smoke and irritating vapors.

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