3,4-Dihydroxy-5-methoxybenzaldehyde
Properties
- Molecular formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- Exact mass
- 168.0423 Da
- Melting point
- 129–131 °C
- logP
- 0.92Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 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
3934-87-0SMILES
COc1cc(C=O)cc(O)c1OInChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzaldehyde, 3,4-dihydroxy-5-methoxy-
- Protocatechualdehyde, 5-methoxy-
- 5-Hydroxyvanillin
- 4,5-Dihydroxy-3-methoxybenzaldehyde
- NSC 16679
- 3-Methoxy-4,5-dihydroxybenzaldehyde
Work with 3,4-Dihydroxy-5-methoxybenzaldehyde
Similar compounds
Syringaldehyde134-96-380 % similar
3,4-Dimethoxy-5-hydroxybenzaldehyde29865-90-571 % similar
3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-067 % similar
5-Bromovanillin2973-76-467 % similar
4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-867 % similar
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-367 % similar
3,4,5-Trihydroxybenzaldehyde13677-79-763 % similar
Vanillin121-33-563 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.