Methyl 4-(1-oxopentyl)benzoate

CAS Registry Number®

30611-21-3
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CAS Name

Methyl 4-(1-oxopentyl)benzoate

Molecular Formula

C13H16O3

Molecular Mass

220.26

Cite this Page

Methyl 4-(1-oxopentyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30611-21-3 (retrieved 2024-09-07) (CAS RN: 30611-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    40-43 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16-2/h6-9H,3-5H2,1-2H3

InChIKey

InChIKey=LSDGSJYZSOPREL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(1-oxopentyl)-, methyl ester
  • Benzoic acid, p-valeryl-, methyl ester
  • Methyl 4-(1-oxopentyl)benzoate