(3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one

Basic Information

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CAS Number

51481-10-8

Molecular Formula

C15H20O6

Molecular Weight

296.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

176-178 ºC

Boiling Point

543.9°C at 760 mmHg

Refractive Index

1.4359 (estimate)

Specific Rotation

D25+6.35° (c = 0.07 in ethanol)

SMILES

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CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO

InChI

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

InChIKey

LINOMUASTDIRTM-QGRHZQQGSA-N

LogP

-0.8377000000000003

Topological Polar Surface Area

99.52000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

558

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(a) Class 6.1(a)

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to humidity

Toxicity

LD50 i.p. in male, female mice (mg/kg): 70.0, 76.7 (Yoshizawa, Morooka)

Synonyms & References

English

Deoxynivalenol 100 microg/mL in Acetonitrile
DEOXYNIVALENOL [HSDB]
4-Deoxynivalenol in acetonitrile, IRMM(R) certified Reference Material
Deoxynivalenol(DON) Solution in Acetonitrile, 100ug/mL
UNII-JT37HYP23V
Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (2?,3?,6?,7?,11?,12?)-
AS-75858
NS00000120
(2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-3',6'-dihydroxy-5a'-(hydroxymethyl)-5',8'-dimethyl-2',3',4',5',5a',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-7'(6'H)-one
AC-35348
3.ALPHA.,7.ALPHA.,15-TRIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE
20 - Fusarium mycotoxins in maize oil
(3beta,7alpha)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-En-8-One
DEOXYNIVALENOL
HSDB 7245
1ST7213
DTXSID3020382
4-Desoxynivalenol
(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
NSC-269144
NSC 269144
1ST7213-100A
MFCD09039270
Q420518
12,13-EPOXY-3-.ALPHA.,7-.ALPHA.,15-TRIHYDROXY-9-TRICHOTHECEN-8- ONE
Rd toxin
CHEMBL513300
Desoxynivalenol
Deoxynivalenol, reference material
Vomitoxin
12,13-Epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one

MDL Number

MFCD09039270

Customs Code

29329990

FAQ

What is (3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS: 51481-10-8)?

(3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one, also known as T-2 toxin, is a trichothecene mycotoxin with a CAS number of 51481-10-8. It has a molecular formula of C15H18O7 and is characterized by its hydroxyl and epoxy groups, making it a potent inhibitor of protein synthesis.

What are the main uses of (3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS: 51481-10-8)?

(3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one, though a mycotoxin, is primarily studied for its role in mycotoxicology and not for practical use. Its importance lies in its ability to cause mycotoxicoses, particularly in agricultural and food safety contexts, where it can contaminate crops and livestock feed.

Is (3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS: 51481-10-8) safe?

(3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (T-2 toxin) is not considered safe for human consumption. Proper handling and storage are crucial to prevent exposure. It is important to follow strict safety protocols, including wearing appropriate personal protective equipment and storing it in a secure, labeled container away from food products.

How should (3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS: 51481-10-8) be stored?

(3beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one should be stored in a cool, dry place away from direct sunlight and heat. Store it in a well-ventilated area and use a tightly sealed container to prevent contamination. It is advisable to keep it at temperatures below 20°C and avoid any contact with moisture or air to maintain its stability and safety during storage.