α-Methylbenzyl butyrate

CAS Registry Number®

3460-44-4

CAS Name

α-Methylbenzyl butyrate

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

α-Methylbenzyl butyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3460-44-4 (retrieved 2024-11-21) (CAS RN: 3460-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    83.0-83.5 °C @ Press: 3 Torr

  • Density (1)

    0.9972 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3

InChIKey

InChIKey=GGKADXREVJTZMF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 1-phenylethyl ester
  • Butyric acid, α-methylbenzyl ester
  • α-Methylbenzyl butyrate
  • Styralyl butyrate
  • α-Phenethyl butyrate

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Deleted or Replaced CAS Registry Numbers

122407-72-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration