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5-KETE Structure

5-KETE

Chemical Properties

Boiling point 495.0±45.0 °C(Predicted)
Density  0.980±0.06 g/cm3(Predicted)
storage temp.  Store at -80°C
solubility  DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
form  Liquid.
pka 4.59±0.10(Predicted)
InChI 1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
InChIKey MEASLHGILYBXFO-XTDASVJISA-N
SMILES OC(CCCC(/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)=O

Safety Information

WGK Germany  WGK 1
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2

Usage And Synthesis

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