Hexyl benzoate

CAS Registry Number®

6789-88-4

CAS Name

Hexyl benzoate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

Hexyl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6789-88-4 (retrieved 2024-11-22) (CAS RN: 6789-88-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    272 °C @ Press: 770 Torr
  • Density (2)

    0.971 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

InChIKey

InChIKey=UUGLJVMIFJNVFH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, hexyl ester
  • Hexyl benzoate
  • n-Hexyl benzoate
  • 1-Hexyl benzoate
  • Hexyl alcohol, benzoate

CAS INSIGHTSTM
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