Ethylvanillin
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 77.5 °C
- Boiling point
- 285 °C
- Flash point
- 145 °C (closed cup)
- Water solubility
- 2.82 g/L (25 °C)
- logP
- 1.60Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H319 Causes serious eye irritation20.7% of notifiers
Aggregated from 2,046 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
121-32-4SMILES
CCOc1cc(C=O)ccc1OInChIKey
CBOQJANXLMLOSS-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
18 names · show all
- Benzaldehyde, 3-ethoxy-4-hydroxy-
- 3-Ethoxy-4-hydroxybenzaldehyde
- Bourbonal
- Ethavan
- Ethovan
- Ethylprotal
- Protocatechuic aldehyde ethyl ether
- Quantrovanil
- Vanillal
- 4-Hydroxy-3-ethoxybenzaldehyde
- Vanirom
- 2-Ethoxy-4-formylphenol
- Rhodiarome
- NSC 1803
- NSC 67240
- Arovanillon
- 3-Ethylvanillin
- YS 065
Work with Ethylvanillin
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
3,4-Diethoxybenzaldehyde2029-94-971 % similar
Vanillin121-33-564 % similar
3-Ethoxy-4-methoxybenzaldehyde1131-52-863 % similar
4-Ethoxy-3-methoxybenzaldehyde120-25-263 % similar
2-Ethoxy-4-methylphenol2563-07-757 % similar
4-Benzyloxy-3-ethoxybenzaldehyde60186-33-656 % similar
4-Hydroxy-3-(trifluoromethoxy)benzaldehyde53104-95-355 % similar
3-Bromo-5-ethoxy-4-hydroxybenzaldehyde3111-37-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.