chempirical

1-Ethyl-3-methylbenzene

C9H12CAS 620-14-4120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H12
Molar mass
120.19 g/mol
Exact mass
120.0939 Da
Density
0.867 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

Identifiers

CAS number
620-14-4
SMILES
CCc1cccc(C)c1
InChIKey
ZLCSFXXPPANWQY-UHFFFAOYSA-N
InChI
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

Weigh 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-Methylbenzyl alcohol587-03-159 % similar 3-Methylbenzyl bromide620-13-359 % similar 3-Methylbenzyl chloride620-19-959 % similar 3-Methylbenzeneethanol1875-89-455 % similar M-Xylene108-38-355 % similar 1-Bromo-3-ethylbenzene2725-82-854 % similar 3-Ethylaniline587-02-054 % 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-2-methylbenzene611-14-3 4-Ethyltoluene622-96-8

Elsewhere

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