Isobutyl phenylacetate

CAS Registry Number®

102-13-6

CAS Name

Isobutyl phenylacetate

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

Isobutyl phenylacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102-13-6 (retrieved 2025-04-02) (CAS RN: 102-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    247 °C

  • Density (2)

    0.9307 g/cm³ @ Temp: 14 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

InChIKey=RJASFPFZACBKBE-UHFFFAOYSA-N

SMILES

C(C(OCC(C)C)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCC(C)C)CC=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetic acid, 2-methylpropyl ester
  • Acetic acid, phenyl-, isobutyl ester
  • Isobutyl phenylacetate
  • Isobutyl α-toluate
  • NSC 6602

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