2-Methoxy-1,4-dimethylbenzene
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Melting point
- 90–92 °C
- Boiling point
- 194 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1706-11-2SMILES
COc1cc(C)ccc1CInChIKey
SJZAUIVYZWPNAS-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 2-methoxy-1,4-dimethyl-
- Anisole, 2,5-dimethyl-
- 2,5-Dimethylanisole
- 2-Methoxy-p-xylene
- 2,5-Dimethylphenol methyl ether
- 3,6-Dimethylanisole
- Methoxy-p-xylene
Work with 2-Methoxy-1,4-dimethylbenzene
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
2,4-Dimethylanisole6738-23-469 % similar
3,4-Dimethoxytoluene494-99-568 % similar
3-Methoxy-4-methylaniline16452-01-059 % similar
4-Chloro-2-methoxy-1-methylbenzene40794-04-559 % similar
2-Fluoro-5-methylanisole63762-78-759 % similar
Creosol93-51-659 % similar
para-Cresidine120-71-855 % similar
1-Methoxy-2,3,5-trimethylbenzene20469-61-855 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.