2,5-Dimethylbenzaldehyde
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Boiling point
- 220 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed25% of notifiers
- H315 Causes skin irritation25% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H335 May cause respiratory irritation25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5779-94-2SMILES
Cc1ccc(C)c(C=O)c1InChIKey
SMUVABOERCFKRW-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzaldehyde, 2,5-dimethyl-
- Isoxylaldehyde
Work with 2,5-Dimethylbenzaldehyde
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
2,5-Dimethylstyrene2039-89-661 % similar
5-Fluoro-2-methylbenzaldehyde22062-53-960 % similar
5-Methylsalicylaldehyde613-84-360 % similar
5-Bromo-2-methylbenzaldehyde90050-59-260 % similar
2-Bromo-5-methylbenzaldehyde90221-55-960 % similar
2-Fluoro-5-methylbenzaldehyde93249-44-660 % similar
2-Hydroxy-4-methylbenzaldehyde698-27-157 % similar
2-Methyl-5-nitrobenzaldehyde16634-91-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.