m-Isobutyl ibuprofen Structure

m-Isobutyl ibuprofen

Chemical Properties

Boiling point 314.8±11.0 °C(Predicted)
Density  1.029±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Oil
pka 4.35±0.10(Predicted)
color  Colourless
Major Application pharmaceutical (small molecule)
InChI 1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
InChIKey SFVKLYXPBKITCE-UHFFFAOYSA-N
SMILES OC(=O)C(C)c1cc(ccc1)CC(C)C
FDA UNII JIL536872H
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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