Molecule record

4-(2-methylpropyl)benzaldehyde

C11H14O

162.23 g/mol

Loading structure

Molecular properties

Formula
C11H14O
Molar mass
162.23 g·mol−1
Exact mass
162.1045 Da
5
PubChem CID
577537

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

  • 1-Formyl-4-(2-methylpropyl)benzene
  • 4-ISOBUTYLBENZALDEHYDE 95+%
  • 4-IsobutYl-Benzaldehyde
  • 4-Isobutylbenzaldehyde
  • 4-Isobutylbenzaldehyde #
  • 4-Isobutylbenzaldehyde - 80%
  • 4-Isobutylbenzaldehyde, AldrichCPR
  • 4-i-butylbenzaldehyde
Show all 24 synonyms
  • 4-iso-butyl benzaldehyde
  • 4-lsobutylbenzaldehyde
  • 4015-98-9
  • 40150-98-9
  • 464-400-0
  • 609-787-0
  • Benzaldehyde, 4-(2-methylpropyl)-
  • DTXCID5039721
  • DTXSID6074960
  • MFCD00075760
  • Of iso-benzaldehyde
  • RefChem:561355
  • SCHEMBL2324471
  • SCHEMBL44697
  • isobutylbenzaldehyde
  • p-Isobutylbenzaldehyde

Structure identifiers

Canonical SMILES
CC(C)Cc1ccc(C=O)cc1
Isomeric SMILES
CC(C)CC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey
LXPWGAZYJHUWPM-UHFFFAOYSA-N
PubChem CID
577537

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-(2-methylpropyl)benzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-(2-methylpropyl)benzaldehyde; not experimental data.

Sources

Molecule identity

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

Open source record