1-Ethyl-2-methylbenzene

C₉H₁₂CAS 611-14-3120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.8841 g/mL (at 15.7 °C)
Melting point: −80.8 °C
Boiling point: 165.2 °C
Flash point: 39.4 °C
logP: 2.56Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor99.5% of notifiers
H304 May be fatal if swallowed and enters airways44.2% of notifiers
H319 Causes serious eye irritation51% of notifiers
H361 Suspected of damaging fertility or the unborn child50.5% of notifiers
H411 Toxic to aquatic life with long lasting effects51% of notifiers

Aggregated from 208 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P301+P316, P303+P361+P353, P305+P351+P338, P318, P331, P337+P317, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

611-14-3

SMILES

CCc1ccccc1C

InChIKey

HYFLWBNQFMXCPA-UHFFFAOYSA-N

InChI

InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Benzene, 1-ethyl-2-methyl-
Toluene, o-ethyl-
2-Ethyltoluene
1-Methyl-2-ethylbenzene
o-Ethyltoluene
o-Methylethylbenzene
o-Ethylmethylbenzene
2-Methylethylbenzene
NSC 405731
2-Methyl-1-ethylbenzene

Work with 1-Ethyl-2-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

1,2-Diethylbenzene135-01-365 % similar 2-Ethyl-6-methylaniline24549-06-262 % similar 1-Ethyl-2-iodobenzene18282-40-156 % similar 2-Methylbenzyl chloride552-45-456 % similar 2-Methylbenzyl bromide89-92-956 % similar 2-Methylbenzylamine89-93-056 % similar 2-Methylbenzyl alcohol89-95-256 % similar 1-Bromo-2-ethylbenzene1973-22-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Propylbenzene103-65-1 Mesitylene108-67-8 Ethylidene norbornene16219-75-3 1,8-Nonadiyne2396-65-8 Vinyl norbornene3048-64-4 1,2,3-Trimethylbenzene526-73-8 1-Ethyl-3-methylbenzene620-14-4 4-Ethyltoluene622-96-8

Elsewhere

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