2,6-Dimethoxytoluene

C9H12O2CAS 5673-07-4152.19 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Melting point
39–41 °C
Boiling point
97–99 °C (at 15 Torr)
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 41 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
5673-07-4
SMILES
COc1cccc(OC)c1C
InChIKey
FPEUDBGJAVKAEE-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3

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Names and synonyms

6 names
  • Benzene, 1,3-dimethoxy-2-methyl-
  • Toluene, 2,6-dimethoxy-
  • 1,3-Dimethoxy-2-methylbenzene
  • 2-Methylresorcinol dimethyl ether
  • 2-Methyl-1,3-dimethoxybenzene
  • NSC 62674

Work with 2,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxy-2-methylaniline19500-02-874 % similar 2,3-Dimethylanisole2944-49-274 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-171 % similar 1-Chloro-3-methoxy-2-methylbenzene3260-88-671 % similar 1,2-Dimethoxybenzene91-16-760 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-155 % similar 3-Methoxy-2-methylbenzoic acid55289-06-055 % 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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