148-83-4

Name Ostruthine
CAS 148-83-4
EINECS(EC#) 802-686-4
Molecular Formula C19H22O3
MDL Number MFCD07771988
Molecular Weight 298.38
MOL File 148-83-4.mol
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Chemical Properties

Melting point  117-119°
Boiling point  485.3±45.0 °C(Predicted)
density  1.116±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 8.03±0.20(Predicted)
color  White to Off-White
Odor fruity orris
Stability: Light Sensitive
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
InChIKey INBMTJJPUABOQJ-VGOFMYFVSA-N
SMILES C\C(C)=C\CC\C(C)=C\Cc1cc2C=CC(=O)Oc2cc1O
LogP 5.295 (est)

Safety Data

Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1

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