3-Ethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 177 °C
- Boiling point
- 245.5 °C
- logP
- 1.90Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
22924-15-8SMILES
CCOc1cccc(C=O)c1InChIKey
QZMGMXBYJZVAJN-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-2-11-9-5-3-4-8(6-9)7-10/h3-7H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzaldehyde, 3-ethoxy-
- Benzaldehyde, m-ethoxy-
- m-Ethoxybenzaldehyde
Work with 3-Ethoxybenzaldehyde
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
3-(2-Hydroxyethoxy)benzaldehyde60345-97-366 % similar
1,3-Diethoxybenzene2049-73-262 % similar
3-Benzyloxybenzaldehyde1700-37-461 % similar
3-Methoxybenzaldehyde591-31-161 % similar
3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-359 % similar
3,4-Diethoxybenzaldehyde2029-94-957 % similar
3-Phenoxybenzaldehyde39515-51-056 % similar
1-Ethoxy-3-fluorobenzene458-03-753 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.