Veratraldehyde

C9H10O3CAS 120-14-9166.18 g/mol

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OOO
AldehydeEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
43 °C
Boiling point
281 °C
Flash point
110 °C
Water solubility
< 1 g/L (22.2 °C)
logP
1.52Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,759 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
120-14-9
SMILES
COc1ccc(C=O)cc1OC
InChIKey
WJUFSDZVCOTFON-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

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Names and synonyms

15 names · show all
  • Benzaldehyde, 3,4-dimethoxy-
  • 3,4-Dimethoxybenzaldehyde
  • 3,4-Dimethoxybenzenecarbonal
  • Protocatechualdehyde dimethyl ether
  • Protocatechuic aldehyde dimethyl ether
  • Vanillin methyl ether
  • Veratric aldehyde
  • Veratral
  • Veratryl aldehyde
  • Methylvanillin
  • 4-O-Methylvanillin
  • Veratrum aldehyde
  • NSC 24521
  • NSC 8500
  • 3,4-Dimethoxyphenylaldehyde

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 120-14-9. Each row opens the sheet with its composition and PDF.

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Work with Veratraldehyde

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'-Dimethoxybiphenyl-4-carbaldehyde640769-65-973 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-872 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-272 % similar 4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-972 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-670 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-470 % similar Vanillin121-33-568 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-568 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2 Methyl (4-hydroxyphenyl)acetate14199-15-6

Elsewhere

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