2-Ethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 21 °C
- Boiling point
- 248 °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 irritation97.8% of notifiers
Aggregated from 45 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
613-69-4SMILES
CCOc1ccccc1C=OInChIKey
DUVJMSPTZMCSTQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzaldehyde, 2-ethoxy-
- Benzaldehyde, o-ethoxy-
- o-Ethoxybenzaldehyde
- NSC 1783
Work with 2-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
2-Propoxy-benzaldehyde7091-12-574 % similar
3-Ethoxysalicylaldehyde492-88-668 % similar
Ethyl 2-(2-formylphenoxy)acetate41873-61-465 % similar
2-(2-Hydroxyethoxy)benzaldehyde22042-72-464 % similar
2-Ethoxy-3-methoxybenzaldehyde66799-97-161 % similar
2-(Benzyloxy)benzaldehyde5896-17-361 % similar
1,2-Diethoxybenzene2050-46-659 % similar
2-(Allyloxy)benzaldehyde28752-82-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.