Ibuprofen methyl ester
CAS Registry Number®
61566-34-5
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CAS Name
Ibuprofen methyl esterMolecular Formula
C14H20O2Molecular Mass
220.31Cite this Page
Ibuprofen methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61566-34-5 (retrieved ) (CAS RN: 61566-34-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
120-130 °C @ Press: 17 Torr
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKey
InChIKey=YNZYUHPFNYBBFF-UHFFFAOYSA-N
SMILES
C(C(OC)=O)(C)C1=CC=C(CC(C)C)C=C1
Canonical SMILES
O=C(OC)C(C1=CC=C(C=C1)CC(C)C)C
Other Names for this Substance
- Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester
- Methyl 2-(p-isobutylphenyl)propionate
- Ibuprofen methyl ester
- Methyl α-(4-isobutylphenyl)propionate
- Methyl 2-(4-isobutylphenyl)propionate
Deleted or Replaced CAS Registry Numbers
114376-60-2
