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T-2 TRIOL

T-2 TRIOL structure

CAS No:
34114-98-2
Formula:
C20H30O7
Chemical Name:
T-2 TRIOL
Synonyms:
12,13-epoxy-3-alpha,4-beta,8-alpha,15-tetrahydroxy-trichothec-9-en8-isov;12,13-epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol8-isovalerate;T-2-Triol solution;(3α,4β,8α)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 8-(3-Methylbutanoate);12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 8-Isovalerate;Toxin T 3;3-alpha,4-beta,15-trihydroxy-8-alpha-(3-methylbutyryloxy)-12,13-epoxytrichot;4-beta,8-alpha,15-tetrol,12,13-epoxy-trichothec-9-ene-3-alph8-isovalerate
Categories:
Analytical Chemistry > Standard

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T-2 TRIOL Basic Attributes

Molecular Weight：

382.45

Exact Mass：

382.45

EC Number：

621-636-0

HScode：

2932990090

Characteristics

PSA：

109

XLogP3：

1.50

Density：

1.1504 (rough estimate)

Boiling Point：

420.33°C (rough estimate)

Flash Point：

6℃

Refractive Index：

1.4800 (estimate)

Storage Conditions：

−20°C

PKA：

13.60±0.70(Predicted)

Critical Temperature & Pressure：

−20°C

Safety Information

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

T+,Xn,F

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：

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

RIDADR：

UN 2811 6.1/PG 1

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

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