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Molecule record

4-pentylbenzaldehyde

C12H16O

176.26 g/mol

Loading structure

Molecular properties

Formula
C12H16O
Molar mass
176.26 g·mol−1
Exact mass
176.1201 Da
5
PubChem CID
23290

Functional groups

Aldehyde
Alkane / alkyl carbon
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 4-N-Pentylbenzaldehyde
  • 4-Pentylbenzaldehyde #
  • 4-Pentylbenzaldehyde, AldrichCPR
  • 4-n-Amylbenzaldehyde
  • 6853-57-2
  • AC-10356
  • AKOS006229406
  • AS-57408
Show all 24 synonyms
  • BDBM85654
  • Benzaldehyde, 4-pentyl-
  • CS-0319573
  • DB-055166
  • DTXCID2046092
  • DTXSID2064494
  • MFCD00043599
  • RefChem:561383
  • SBB008364
  • SCHEMBL2118970
  • SCHEMBL847304
  • ST50825090
  • p-Pentylbenzaldehyde
  • p-Pentylbenzaldehyde, i
  • p-n-pentylben-zaldehyde
  • p-n-pentylbenzaldehyde

Structure identifiers

Canonical SMILES
CCCCCc1ccc(C=O)cc1
Isomeric SMILES
CCCCCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C12H16O/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-10H,2-5H2,1H3
InChIKey
NQVZPRUSNWNSQH-UHFFFAOYSA-N
PubChem CID
23290

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-pentylbenzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-pentylbenzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
4-pentylbenzaldehyde - Formula, Structure | ChemArche