2,4,6-Trimethylbenzaldehyde

C₁₀H₁₂OCAS 487-68-3148.20 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₀H₁₂O
Molar mass: 148.20 g/mol
Exact mass: 148.0888 Da
Density: 1.0987 g/mL (at 20 °C)
Melting point: 14 °C
Boiling point: 238.5 °C
logP: 2.42Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation99.4% of notifiers
H319 Causes serious eye irritation98.7% of notifiers
H335 May cause respiratory irritation29.9% of notifiers
H411 Toxic to aquatic life with long lasting effects69.5% of notifiers

Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

487-68-3

SMILES

Cc1cc(C)c(C=O)c(C)c1

InChIKey

HIKRJHFHGKZKRI-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 2,4,6-trimethyl-
Mesitylaldehyde
2-Mesitylenecarboxaldehyde
Mesitaldehyde
Mesitylenecarboxaldehyde
NSC 29094

Reactions

Work with 2,4,6-Trimethylbenzaldehyde

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

2,6-Dimethylbenzaldehyde1123-56-456 % similar 2-Ethenyl-1,3,5-trimethylbenzene769-25-556 % similar 2,4-Dimethylbenzaldehyde15764-16-654 % similar 2,5-Dimethylbenzaldehyde5779-94-248 % similar 2-Chloro-6-methylbenzaldehyde1194-64-547 % similar 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-345 % similar 4-Methoxy-2,3,6-trimethylbenzaldehyde54344-92-245 % similar Diformylcresol7310-95-445 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 Benzylacetone2550-26-7

Elsewhere

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