Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetate
CAS Registry Number®
81576-55-8
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CAS Name
Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetateMolecular Formula
C14H20O2Molecular Mass
220.31Cite this Page
Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81576-55-8 (retrieved ) (CAS RN: 81576-55-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
98-99 °C @ Press: 9 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/t11-/m0/s1
InChIKey
InChIKey=YNZYUHPFNYBBFF-NSHDSACASA-N
SMILES
[C@H](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, (αS)-
- Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (S)-
- Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetate
- Methyl (S)-2-[4-(isobutylphenyl)propanoate
- (+)-Ibuprofen methyl ester