4-Methylbenzaldehyde

C8H8OCAS 104-87-0120.15 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Density
1.0194 g/mL (at 17 °C)
Melting point
−6 °C
Boiling point
204 °C
logP
1.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,818 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
104-87-0
SMILES
Cc1ccc(C=O)cc1
InChIKey
FXLOVSHXALFLKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Benzaldehyde, 4-methyl-
  • p-Tolualdehyde
  • p-Methylbenzaldehyde
  • 4-Tolualdehyde
  • p-Formyltoluene
  • NSC 2224
  • p-Toluic aldehyde
  • PTAL

Reactions

Work with 4-Methylbenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4'-Methylbiphenyl-4-carbaldehyde36393-42-786 % similar 4-(Bis(p-tolyl)amino)benzaldehyde42906-19-475 % similar 1,4-Benzenedicarboxaldehyde623-27-867 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar 3,5-Dimethylbenzaldehyde5779-95-357 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-355 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-455 % similar para-Dimethylaminobenzaldehyde100-10-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetaldehyde122-78-1 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4 3-Methylbenzaldehyde620-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia