23017-93-8

Name 13-hydroperoxy-9,11-octadecadienoic acid
CAS 23017-93-8
Molecular Formula C18H32O4
Molecular Weight 312.44
MOL File 23017-93-8.mol
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Chemical Properties

Boiling point  449.9±28.0 °C(Predicted)
density  1.002±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
form  Liquid
pka 4.78±0.10(Predicted)
color  Colorless to light yellow
InChI InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+
InChIKey JDSRHVWSAMTSSN-BSZOFBHHSA-N
SMILES C(O)(=O)CCCCCCC/C=C\C=C\C(OO)CCCCC

Safety Data

Symbol(GHS)  Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
Signal word  Danger
Hazard statements  H225-H350
Precautionary statements  P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501
HS Code  2918990090

Hazard Information

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