1-Phenylethyl hexanoate

CAS Registry Number®

3460-45-5
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CAS Name

1-Phenylethyl hexanoate

Molecular Formula

C14H20O2

Molecular Mass

220.31

Cite this Page

1-Phenylethyl hexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3460-45-5 (retrieved 2024-09-12) (CAS RN: 3460-45-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    110-111 °C @ Press: 2.5 Torr

  • Density (1)

    0.9705 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H20O2/c1-3-4-6-11-14(15)16-12(2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3

InChIKey

InChIKey=XDNXTDFSRYCZFT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Hexanoic acid, 1-phenylethyl ester
  • Hexanoic acid, α-methylbenzyl ester
  • 1-Phenylethyl hexanoate

Deleted or Replaced CAS Registry Numbers

122349-97-7