1-Methyl-2-phenylethyl butanoate

CAS Registry Number®

68922-11-2

CAS Name

1-Methyl-2-phenylethyl butanoate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

1-Methyl-2-phenylethyl butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68922-11-2 (retrieved 2024-12-28) (CAS RN: 68922-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    146 °C @ Press: 10 Torr

  • Density (1)

    1.0001 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3

InChIKey

InChIKey=ANJRGSHRMWLHFZ-UHFFFAOYSA-N

SMILES

C(C(OC(CCC)=O)C)C1=CC=CC=C1

Canonical SMILES

O=C(OC(C)CC=1C=CC=CC1)CCC

Other Names for this Substance

  • Butanoic acid, 1-methyl-2-phenylethyl ester
  • 1-Methyl-2-phenylethyl butanoate
  • 1-Phenyl-2-propyl butanoate
  • 1-Phenyl-2-propyl butyrate
  • 1-Phenylpropan-2-yl butanoate

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