4-Butoxybenzaldehyde
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Melting point
- 184 °C
- Boiling point
- 285 °C
- logP
- 2.68Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5736-88-9SMILES
CCCCOc1ccc(C=O)cc1InChIKey
XHWMNHADTZZHGI-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzaldehyde, 4-butoxy-
- Benzaldehyde, p-butoxy-
- p-Butoxybenzaldehyde
- NSC 508762
- 4-n-Butoxybenzaldehyde
Work with 4-Butoxybenzaldehyde
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-(Pentyloxy)benzaldehyde5736-91-490 % similar
4-(Octyloxy)benzaldehyde24083-13-487 % similar
4-(Decyloxy)benzaldehyde24083-16-787 % similar
p-Dodecyloxybenzaldehyde24083-19-087 % similar
4-(Heptyloxy)benzaldehyde27893-41-087 % similar
4-N-Nonyloxybenzaldehyde50262-46-987 % similar
4-(Hexyloxy)benzaldehyde5736-94-787 % similar
4-Propoxybenzaldehyde5736-85-680 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.