4-Ethylbenzaldehyde
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Density
- 0.98–1 g/mL
- Boiling point
- 221 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed85.1% of notifiers
- H315 Causes skin irritation15.3% of notifiers
- H319 Causes serious eye irritation15.3% of notifiers
- H335 May cause respiratory irritation13.9% of notifiers
Aggregated from 281 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
4748-78-1SMILES
CCc1ccc(C=O)cc1InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Benzaldehyde, 4-ethyl-
- Benzaldehyde, p-ethyl-
- p-Ethylbenzaldehyde
Work with 4-Ethylbenzaldehyde
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-Propylbenzaldehyde28785-06-065 % similar
4-Butylbenzaldehyde1200-14-261 % similar
4-Pentylbenzaldehyde6853-57-259 % similar
1,4-Diethylbenzene105-05-557 % similar
1,4-Benzenedicarboxaldehyde623-27-857 % similar
4-(Bromomethyl)benzaldehyde51359-78-556 % similar
4-Isobutylbenzaldehyde40150-98-955 % similar
4-Ethoxybenzaldehyde10031-82-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.