Syringaldehyde

C₉H₁₀O₄CAS 134-96-3182.17 g/mol

Open in Covalent MOL file

Aldehyde Ether Phenol

Properties

Molecular formula: C₉H₁₀O₄
Molar mass: 182.17 g/mol
Exact mass: 182.0579 Da
Melting point: 113 °C
logP: 1.22Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation> 99.9% of notifiers

Aggregated from 1,484 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

134-96-3

SMILES

COc1cc(C=O)cc(OC)c1O

InChIKey

KCDXJAYRVLXPFO-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzaldehyde, 4-hydroxy-3,5-dimethoxy-
4-Hydroxy-3,5-dimethoxybenzaldehyde
3,5-Dimethoxy-4-hydroxybenzaldehyde
4-Formyl-2,6-dimethoxyphenol
Gallaldehyde 3,5-dimethyl ether
Syringic aldehyde
Cedar aldehyde
2,6-Dimethoxy-4-formylphenol
NSC 41153
SM 707
VND 3207
4-Formylsyringol

Reactions

SYRINGIC ALDEHYDE (Syringaldehyde)product

Work with Syringaldehyde

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-080 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-075 % similar 5-Bromovanillin2973-76-475 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-875 % similar 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-375 % similar 3,4,5-Trimethoxybenzaldehyde86-81-766 % similar 5-Nitrovanillin6635-20-765 % similar Syringaldazine14414-32-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

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