Molecular properties
- Formula
- C8H8O
- Molar mass
- 120.15 g·mol−1
- Exact mass
- 120.0575 Da
- 5
- PubChem CID
- 7725
Molecule record
4-methylbenzaldehyde
C8H8O
120.15 g/mol
Loading structure
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
- 104-87-0
- 203-246-9
- 4-Methyl-Benzaldehyde
- 4-Tolualdehyde
- 4-Toluylaldehyde
- Benzaldehyde, 4-methyl-
- CHEBI:28617
- DTXCID7021520
Show all 24 synonyms
- DTXSID9041520
- FEMA NO. 3068, P-
- GAX22QZ28Q
- MFCD00006954
- NSC-2224
- PTAL
- Paratolualdehyde
- RefChem:99842
- p-Formyltoluene
- p-Methylbenzaldehyde
- p-Tolualdehyde
- p-Toluylaldehyde
- p-Tolylaldehyde
- para-Methylbenzaldehyde
- para-Tolualdehyde
- para-Toluyl aldehyde
Structure identifiers
- Canonical SMILES
- Cc1ccc(C=O)cc1
- Isomeric SMILES
- CC1=CC=C(C=C1)C=O
- InChI
- InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
- InChIKey
- FXLOVSHXALFLKQ-UHFFFAOYSA-N
- PubChem CID
- 7725
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-methylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.