Ibuprofen
CAS Registry Number®
15687-27-1
CAS Name
IbuprofenMolecular Formula
C13H18O2Molecular Mass
206.28Cite this Page
Ibuprofen. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=58560-75-1 (retrieved ) (CAS RN: 15687-27-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
141-142 °C @ Press: 100 TorrMelting Point (2)
75-77 °CDensity (1)
0.9181 g/cm³ @ Temp: 30 °C
Source(s)
- (1) Menon, Kottiazath Narayana; Journal of the Indian Institute of Science, (1927), 10A, 1-5, CAplus
- (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey
InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N
SMILES
C(C(O)=O)(C)C1=CC=C(CC(C)C)C=C1
Canonical SMILES
O=C(O)C(C1=CC=C(C=C1)CC(C)C)C
Other Names for this Substance
- Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
- Hydratropic acid, p-isobutyl-
- α-Methyl-4-(2-methylpropyl)benzeneacetic acid
- Ibuprofen
- p-Isobutylhydratropic acid
Deleted or Replaced CAS Registry Numbers
139466-08-3, 58560-75-1
