3-Methoxy-4-methylbenzaldehyde

C₉H₁₀O₂CAS 24973-22-6150.18 g/mol

Open in Covalent MOL file

Aldehyde Ether

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
Melting point: 45–46 °C
logP: 1.82Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

24973-22-6

SMILES

COc1cc(C=O)ccc1C

InChIKey

TVDHPUFLDYYBPO-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O2/c1-7-3-4-8(6-10)5-9(7)11-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 3-methoxy-4-methyl-
m-Anisaldehyde, 4-methyl-
3-Methoxy-p-tolualdehyde

Work with 3-Methoxy-4-methylbenzaldehyde

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

4-Methoxy-3-methylbenzaldehyde32723-67-474 % similar Veratraldehyde120-14-970 % similar Vanillin121-33-562 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-562 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-462 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-662 % similar 3,4-Dimethylbenzaldehyde5973-71-760 % similar 4-Methoxy-2,5-dimethylbenzaldehyde6745-75-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook