Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetate

CAS Registry Number®

81576-55-8

CAS Name

Methyl (αS)-α-methyl-4-(2-methylpropyl)benzeneacetate

Molecular Formula

C14H20O2

Molecular Mass

220.31

Cite 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 2024-11-28) (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

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