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DEOXYNIVALENOL Structure

DEOXYNIVALENOL

Chemical Properties

Melting point 151-153 C
alpha  D25+6.35° (c = 0.07 in ethanol)
Boiling point 357.92°C (rough estimate)
Density  1.48
refractive index  1.4359 (estimate)
Flash point -3 °C
storage temp.  -20°C
solubility  DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
form  solution (ethanol: 2-propanol 95:5)
pka 11.91±0.70(Predicted)
Merck  13,10092
Stability Stable. Incompatible with strong oxidizing agents.
InChI InChI=1/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+/s3
InChIKey LINOMUASTDIRTM-QUKTVYMZNA-N
SMILES [C@@]12(CO1)[C@@]1([H])[C@H](O)C[C@]2(C)[C@@]2(CO)[C@H](O)C(C(C)=C[C@@]2([H])O1)=O |&1:0,3,5,8,10,13,19,r|
LogP -1.250 (est)
CAS DataBase Reference 51481-10-8

Safety Information

Hazard Codes  T,Xn,F,Xi
Risk Statements  25-68/20/21/22-67-66-36-20/21/22-11-36/37/38
Safety Statements  36/37/39-45-36-26-16-36/37-37/39
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  YD0167000
HazardClass  6.1(a)
PackingGroup  I
HS Code  29329990
Hazardous Substances Data 51481-10-8(Hazardous Substances Data)
Toxicity LD50 i.p. in male, female mice (mg/kg): 70.0, 76.7 (Yoshizawa, Morooka)

MSDS

Usage And Synthesis

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