Butyl mandelate

CAS Registry Number®

14007-02-4
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CAS Name

Butyl mandelate

Molecular Formula

C12H16O3

Molecular Mass

208.25

Cite this Page

Butyl mandelate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14007-02-4 (retrieved 2024-08-02) (CAS RN: 14007-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    162 °C @ Press: 24 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O3/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3

InChIKey

InChIKey=QLVXFMSPNHAPMO-UHFFFAOYSA-N

SMILES

C(C(OCCCC)=O)(O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, butyl ester
  • Mandelic acid, butyl ester
  • Butyl mandelate
  • AI 3-1789
  • NSC 406147

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Deleted or Replaced CAS Registry Numbers

119718-90-0