1-Ethyl-3-methylbenzene
Properties
- Molecular formula
- C9H12
- Molar mass
- 120.19 g/mol
- Exact mass
- 120.0939 Da
- Density
- 0.867 g/mL (at 20 °C)
- Melting point
- −95.5 °C
- Boiling point
- 161.3 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor98.8% of notifiers
- H304 May be fatal if swallowed and enters airways14.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects31.3% of notifiers
Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
620-14-4SMILES
CCc1cccc(C)c1InChIKey
ZLCSFXXPPANWQY-UHFFFAOYSA-NInChI
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-ethyl-3-methyl-
- Toluene, m-ethyl-
- 3-Ethyltoluene
- 1-Methyl-3-ethylbenzene
- m-Ethylmethylbenzene
- 3-Methylethylbenzene
- m-Ethyltoluene
- m-Methylethylbenzene
- NSC 74176
Work with 1-Ethyl-3-methylbenzene
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
1,3-Diethylbenzene141-93-568 % similar
3-Methylbenzylamine100-81-259 % similar
3-Methylbenzyl alcohol587-03-159 % similar
3-Methylbenzyl bromide620-13-359 % similar
3-Methylbenzyl chloride620-19-959 % similar
Ethylbenzene100-41-457 % similar
3-Methylbenzeneethanol1875-89-455 % similar
M-Xylene108-38-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.