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Toxin T 2 triol

Toxin T 2 triol structure

CAS No:
34114-98-2
Formula:
C20H30O7
Chemical Name:
Toxin T 2 triol
Synonyms:
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,8-(3-methylbutanoate),(3α,4β,8α)-;Trichothec-9-ene-3α,4β,8α,15-tetrol,12,13-epoxy-,8-isovalerate;Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane],trichothec-9-ene-3,4,8,15-tetrol deriv.;Deacetyl HT 2 toxin;Toxin T 2 triol;T 2 triol;Toxin T 3;97373-21-2
Categories:
Analytical Chemistry > Standard

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Toxin T 2 triol Basic Attributes

Molecular Weight：

382.45

Exact Mass：

382.45

EC Number：

200-835-2

Characteristics

PSA：

109

XLogP3：

1.50

Density：

1.3±0.1 g/cm3

Boiling Point：

527.1±50.0 °C at 760 mmHg

Flash Point：

6℃

Refractive Index：

1.582

Storage Conditions：

−20°C

Safety Information

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/27/28-36/37/38-36-20/21/22-11

safety instructions：

22-26-36/37/39-45-36/37-16

RTECS Number：

YD0105000

Marks：

T+,Xn,F

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4,15-trihydroxy-8-(3-methylbutyryloxy)-1,2,3-epoxytrichothec--9-ene

Toxin T 2 triol Use and Manufacturing

T-2 Toxin Triol is a type-A trichothecene mycotoxin produced by Fusarium, itself a metabolite of T-2 Toxin (T002980).

Computed Properties

Molecular Weight:382.4
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:382.19915329
Monoisotopic Mass:382.19915329
Topological Polar Surface Area:109
Heavy Atom Count:27
Complexity:675
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes