chempirical

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
logP
2.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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

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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 1-Bromo-2-ethylbenzene1973-22-452 % similar 2-(2-Methylphenyl)ethanol19819-98-852 % 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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