Isovanillin

C8H8O3CAS 621-59-0152.15 g/mol

Open in Covalent MOL file
OOHO
AldehydeEtherPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Density
1.4 g/mL
Melting point
114 °C
Boiling point
179 °C
logP
1.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 60 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
621-59-0
SMILES
COc1ccc(C=O)cc1O
InChIKey
JVTZFYYHCGSXJV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzaldehyde, 3-hydroxy-4-methoxy-
  • p-Anisaldehyde, 3-hydroxy-
  • 3-Hydroxy-4-methoxybenzaldehyde
  • 5-Formylguaiacol
  • 3-Hydroxy-p-anisaldehyde
  • Isovanillic aldehyde
  • 4-Methoxy-3-hydroxybenzaldehyde
  • 3-Hydroxy-4-anisaldehyde
  • 5-Formyl-2-methoxyphenol
  • 2-Methoxy-5-formylphenol
  • NSC 82996

Work with Isovanillin

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

Veratraldehyde120-14-968 % similar 3,4-Dimethoxy-5-hydroxybenzaldehyde29865-90-563 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-063 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar 4-Difluoromethoxy-3-hydroxybenzaldehyde151103-08-161 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-060 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3',4'-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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