3,4-Diethoxybenzaldehyde
Properties
- Molecular formula
- C11H14O3
- Molar mass
- 194.23 g/mol
- Exact mass
- 194.0943 Da
- Density
- 1.101 g/mL (at 21.5 °C)
- Melting point
- 22 °C
- Boiling point
- 279 °C
- logP
- 2.30Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 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
2029-94-9SMILES
CCOc1ccc(C=O)cc1OCCInChIKey
SSTRYEXQYQGGAS-UHFFFAOYSA-NInChI
InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Benzaldehyde, 3,4-diethoxy-
- NSC 6331
Work with 3,4-Diethoxybenzaldehyde
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-Ethoxy-4-methoxybenzaldehyde1131-52-881 % similar
4-Ethoxy-3-methoxybenzaldehyde120-25-281 % similar
2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-876 % similar
4-Benzyloxy-3-ethoxybenzaldehyde60186-33-675 % similar
Ethylvanillin121-32-471 % similar
Piperonal120-57-070 % similar
3-Methoxy-4-propoxy-benzaldehyde57695-98-462 % similar
4-Ethoxybenzaldehyde10031-82-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.