4-Isobutylbenzaldehyde
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Boiling point
- 258 °C
- logP
- 2.70Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H317 May cause an allergic skin reaction91.7% of notifiers
- H400 Very toxic to aquatic life91.7% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501
Identifiers
CAS number
40150-98-9SMILES
CC(C)Cc1ccc(C=O)cc1InChIKey
LXPWGAZYJHUWPM-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzaldehyde, 4-(2-methylpropyl)-
- 4-(2-Methylpropyl)benzaldehyde
- p-Isobutylbenzaldehyde
- p-(2-Methylpropyl)phenylaldehyde
- 4-i-Butylbenzaldehyde
Work with 4-Isobutylbenzaldehyde
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-Ethylbenzaldehyde4748-78-155 % similar
4-Propylbenzaldehyde28785-06-053 % similar
Cuminaldehyde122-03-250 % similar
1-Bromo-4-(2-methylpropyl)benzene2051-99-250 % similar
4-(Bromomethyl)benzaldehyde51359-78-550 % similar
Isobutylbenzene538-93-250 % similar
1,4-Benzenedicarboxaldehyde623-27-850 % similar
4-Pentylbenzaldehyde6853-57-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds