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Basic Information
CAS No.: 2623-22-5
Name: 15-ACETOXY-3ALPHA,4BETA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-ENE
Molecular Structure:
Molecular Structure of 2623-22-5 (15-ACETOXY-3ALPHA,4BETA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-ENE)
Formula: C17H24 O6
Molecular Weight: 324.374
Synonyms: Scirp-9-ene-3a,4b,15-triol, 12,13-epoxy-, 15-acetate (7CI);Trichothec-9-ene-3a,4b,15-triol, 12,13-epoxy-,15-acetate (8CI); 15-Acetoxyscirpen-3,4-diol; 15-Acetoxyscirpenol;15-Acetylscirpenetriol; 15-Mono-O-acetylscirpenol; 15-O-Acetylscirpenetriol;4-Deacetylanguidin; Monoacetoxyscirpenol; NSC 267030
Density: 1.34g/cm3
Melting Point: 170-172 °C
Boiling Point: 465.5°Cat760mmHg
Flash Point: 167.3°C
Hazard Symbols: A poison by ingestion. A mild skin irritant.
Risk Codes: 25
Safety: A poison by ingestion, intraperitoneal, and subcutaneous routes. A mild skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 88.52000
LogP: 0.55410
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Chemistry

Systematic Name: (3beta,4alpha,12xi)-3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate
Synonyms of (3-α)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate (CAS NO.2623-22-5): (3-alpha)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate ; 15-Acetoxyscirpenol ; 15-Mono-O-acetylscirpenol ; 4-Deacetylanguidin ; Deacetylanguidin ; Scirp-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 15-acetate ; Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 15-acetate ; Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 15-acetate, (3alpha,4beta)-
CAS NO:2623-22-5
Molecular Formula: C17H24O6
Molecular Weight: 324.3689
Molecular Structure:
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 66.52 Å2
Index of Refraction: 1.584
Molar Refractivity: 80.61 cm3
Molar Volume: 240.5 cm3
Surface Tension: 55.8 dyne/cm
Density: 1.34 g/cm3
Flash Point: 167.3 °C
Enthalpy of Vaporization: 83.85 kJ/mol
Boiling Point: 465.5 °C at 760 mmHg
Vapour Pressure: 1.27E-10 mmHg at 25°C
Storage temp: 2-8°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 2500ug/kg (2.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE

SKIN AND APPENDAGES (SKIN): NAILS: OTHER		 Poultry Science. Vol. 69, Pg. 397, 1990.
mouse LD50 intraperitoneal 4500ug/kg (4.5mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
mouse LD50 subcutaneous 7800ug/kg (7.8mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
rat LD50 subcutaneous 725ug/kg (0.725mg/kg)   Developments in Food Science. Vol. 4, Pg. 135, 1983.

Safety Profile

Hazard Codes: ToxicT
Risk Statements: 25
R25: (3-α)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate (CAS NO.2623-22-5) is toxic if swallowed.
Safety Statements: 45
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: YD0111000
HazardClass: 6.1(a)
PackingGroup: II

A poison by ingestion, intraperitoneal, and subcutaneous routes. (3-α)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate (CAS NO.2623-22-5) is a mild skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.