2-Methylbenzaldehyde

C₈H₈OCAS 529-20-4120.15 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₈H₈O
Molar mass: 120.15 g/mol
Exact mass: 120.0575 Da
Density: 1.0342 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 200 °C
Flash point: 67.2 °C
Water solubility: < 1 g/L (20 °C)
logP: 1.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed64.1% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation62.8% of notifiers
H318 Causes serious eye damage82.1% of notifiers
H319 Causes serious eye irritation44.9% of notifiers
H335 May cause respiratory irritation65.4% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

529-20-4

SMILES

Cc1ccccc1C=O

InChIKey

BTFQKIATRPGRBS-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/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, 2-methyl-
o-Tolualdehyde
o-Methylbenzaldehyde
o-Toluic aldehyde
o-Tolylaldehyde
2-Tolualdehyde
2-Formyltoluene
NSC 103152

Reactions

Work with 2-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

2,3-Dimethylbenzaldehyde5779-93-165 % similar 3-Methylsalicylaldehyde824-42-061 % similar 2,6-Dimethylbenzaldehyde1123-56-456 % similar 2-Methylstyrene611-15-456 % similar 2-Iodobenzaldehyde26260-02-654 % similar 2,4-Dimethylbenzaldehyde15764-16-654 % similar 2,5-Dimethylbenzaldehyde5779-94-254 % similar Bis-msb13280-61-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylbenzaldehyde104-87-0 Phenylacetaldehyde122-78-1 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 3-Methylbenzaldehyde620-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia