3,4-Dimethoxytoluene

C9H12O2CAS 494-99-5152.19 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Density
1.0509 g/mL (at 25 °C)
Melting point
24 °C
Boiling point
220 °C
logP
2.01Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 129 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
494-99-5
SMILES
COc1ccc(C)cc1OC
InChIKey
GYPMBQZAVBFUIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1,2-dimethoxy-4-methyl-
  • Toluene, 3,4-dimethoxy-
  • Veratrole, 4-methyl-
  • 1,2-Dimethoxy-4-methylbenzene
  • Homoveratrole
  • 4-Methylveratrole
  • 4-Methyl-1,2-dimethoxybenzene
  • 4-Methylveratrol
  • 4-Methylcatechol dimethyl ether
  • NSC 7378
  • 2-Methoxy-5-methylanisole

Work with 3,4-Dimethoxytoluene

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

2-Methoxy-1,4-dimethylbenzene1706-11-268 % similar 2,4-Dimethylanisole6738-23-468 % similar para-Cresidine120-71-865 % similar 2-Methoxy-5-methylphenol1195-09-163 % similar 2-Bromo-4-methylanisole22002-45-563 % similar 2-Fluoro-4-methylanisole399-55-363 % similar 2-Fluoro-5-methylanisole63762-78-763 % similar Creosol93-51-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7

Elsewhere

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