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CAS No 21259-20-1 , Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-

  • Name: Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-
  • Synonyms: T 2 Toxin; Insariotoxin;NSC 138780;Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane], trichothec-9-ene-3,4,8,15-tetrolderiv.; 4b,15-Diacetoxy-8a-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-en-3a-ol; 8a-(3-Methylbutyryloxy)-4b,15-diacetoxyscirp-9-en-3a-ol; T 2 mycotoxin;Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-;Trichothec-9-ene-3a,4b,8a,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate (8CI); T 2; Fusariotoxin T 2; Mycotoxin T 2; Toxin T 2;
  • CAS Registry Number:
  • Transport: UN 3462 6.1/PG 1
  • Flash Point: 2 °C
  • Boiling Point: 544.9°C at 760 mmHg
  • Density: 1.28g/cm3
  • Refractive index: 1.546
  • Safety Statements: Poison by ingestion, intramuscular, subcutaneous, intraperitoneal, intracerebral, and intravenous routes. Moderately toxic by inhalation. Experimental teratogenic and reproductive effects. A skin irritant. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Hazard Symbols: T+,T,Xn,F
  • Flash Point: 2 °C
  • EINECS: 244-297-7
  • Molecular Weight: 466.58
  • InChI: InChI=1/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
  • Risk Statements: 26/27/28-38-36-20/21/22-11
  • Molecular Formula: C24H34 O9
  • Molecular Structure:CAS No:21259-20-1 Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-

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References of Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-
Title: T-2 Toxin
CAS Registry Number: 21259-20-1
CAS Name: (3a,4b,8a)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutanoate)
Synonyms: 3a-hydroxy-4b,15-diacetoxy-8a-(3-methylbutyryloxy)-12,13-epoxy-D9-tricothecene; 8a-(3-methylbutyryloxy)-4b,15-diacetoxyscirp-9-en-3a-ol; fusariotoxin T-2; insariotoxin; mycotoxin T-2
Manufacturers' Codes: NSC-138780
Molecular Formula: C24H34O9
Molecular Weight: 466.52
Percent Composition: C 61.79%, H 7.35%, O 30.87%
Literature References: Tricothecene mycotoxin isolated from Fusarium tricinctum: J. R. Bamburg et al., Tetrahedron 24, 3329 (1968). Physicochemical data: A. E. Pohland et al., Pure Appl. Chem. 54, 2119 (1982). Synthesis: M. C. Wani et al., J. Org. Chem. 52, 3468 (1987). Biosynthetic study: F. Van Middlesworth et al., J. Org. Chem. 55, 1237 (1990). Toxicology studies: W. F. O. Marasas et al., Toxicol. Appl. Pharmacol. 15, 471 (1969); H. B. Schiefer, D. S. Hancock, ibid. 76, 464 (1984); D. A. Creasia et al., Fundam. Appl. Toxicol. 14, 54 (1990). Implicated as a chemical warfare agent in Southeast Asia with nivalenol, q.v.: N. Wade, Science 214, 34 (1981); R. T. Rosen, J. D. Rosen, Biomed. Mass Spectrom. 9, 443 (1982). Review: Developments in Food Science vol. 4, Y. Ueno, Ed., entitled "Trichothecenes: Chemical, Biological and Toxicological Aspects" (Kodansha Ltd. and Elsevier, New York, 1983) 310 pp. Review of pharmacokinetics and metabolism: B. Yagen, M. Bialer, Drug Metab. Rev. 25, 281-323 (1993).
Properties: Crystals, mp 151-152°. [a]D26 +15° (c = 2.58 in ethanol). Freely sol in ethyl alcohol, ethyl acetate, chloroform, DMSO and other organic solvents; slightly sol in petroleum ether; very slightly sol in water. LD50 orally in female rats: 4.0 mg/kg (Marasas). LD50 (mg/kg) in mice: 5.2 i.p., 4.2 i.v.; in rats: 7.0 intragastric, 0.9-1.3 i.p., 0.9 i.v., 2.0 s.c.; in guinea pigs: 3.0-4.0 orally, 5.3 intragastric, 1.0 i.m., 1.0-2.0 i.v., 1.0-2.0 s.c.; in pigs: 5.0 orally, 3.0 i.v. (Yagen, Bailer).
Melting point: mp 151-152°
Optical Rotation: [a]D26 +15° (c = 2.58 in ethanol)
Toxicity data: LD50 orally in female rats: 4.0 mg/kg (Marasas); LD50 (mg/kg) in mice: 5.2 i.p., 4.2 i.v.; in rats: 7.0 intragastric, 0.9-1.3 i.p., 0.9 i.v., 2.0 s.c.; in guinea pigs: 3.0-4.0 orally, 5.3 intragastric, 1.0 i.m., 1.0-2.0 i.v., 1.0-2.0 s.c.; in pigs: 5.0 orally, 3.0 i.v. (Yagen, Bailer)
CAUTION: May be highly irritating to skin and mucous membranes. Direct contact may cause extensive inflammation and tissue necrosis (Marasas). Topical exposure has lead to systemic toxicity and death in experimental animals (Schiefer, Hancock).