1,2-Diethylbenzene
Properties
- Molecular formula
- C10H14
- Molar mass
- 134.22 g/mol
- Exact mass
- 134.1096 Da
- Density
- 0.88 g/mL (at 20 °C)
- Melting point
- −31.2 °C
- Boiling point
- 184 °C
- Flash point
- 57.2 °C (closed cup)
- Water solubility
- 71.1 mg/L
- logP
- 2.81Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways92.5% of notifiers
- H315 Causes skin irritation99.1% of notifiers
- H319 Causes serious eye irritation99.1% of notifiers
- H335 May cause respiratory irritation99.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects82.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects10.2% of notifiers
Aggregated from 1,017 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
135-01-3SMILES
CCc1ccccc1CCInChIKey
KVNYFPKFSJIPBJ-UHFFFAOYSA-NInChI
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Benzene, 1,2-diethyl-
- Benzene, o-diethyl-
- o-Diethylbenzene
Work with 1,2-Diethylbenzene
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-Bromo-2-ethylbenzene1973-22-465 % similar
1-Ethyl-2-methylbenzene611-14-365 % similar
1-Ethyl-2-iodobenzene18282-40-162 % similar
2-Ethylbenzenethiol4500-58-762 % similar
2-Ethylaniline578-54-162 % similar
1-Chloro-2-ethylbenzene89-96-362 % similar
2-Ethylphenol90-00-662 % similar
2,6-Diethylaniline579-66-860 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds