Hexyl α-hydroxybenzeneacetate

CAS Registry Number®

5431-31-2

CAS Name

Hexyl α-hydroxybenzeneacetate

Molecular Formula

C14H20O3

Molecular Mass

236.31

Cite this Page

Hexyl α-hydroxybenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5431-31-2 (retrieved 2024-12-23) (CAS RN: 5431-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    133 °C @ Press: 2 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H20O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h5-7,9-10,13,15H,2-4,8,11H2,1H3

InChIKey

InChIKey=WTWKQARYVVXCNG-UHFFFAOYSA-N

SMILES

C(C(OCCCCCC)=O)(O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, hexyl ester
  • Mandelic acid, hexyl ester
  • Hexyl α-hydroxybenzeneacetate
  • Hexyl mandelate
  • AI 3-4202

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