chempirical

4-Ethyltoluene

C9H12CAS 622-96-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H12
Molar mass
120.19 g/mol
Exact mass
120.0939 Da
Density
0.8664 g/mL (at 15.8 °C)
Melting point
−62.3 °C
Boiling point
162 °C
logP
2.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
622-96-8
SMILES
CCc1ccc(C)cc1
InChIKey
JRLPEMVDPFPYPJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Weigh it out

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Names and synonyms

10 names
  • p-Ethyltoluene
  • p-Methylethylbenzene
  • p-Ethylmethylbenzene
  • 4-Methylethylbenzene
  • Benzene, 1-ethyl-4-methyl-
  • Toluene, p-ethyl-
  • 1-Ethyl-4-methylbenzene
  • 1-Methyl-4-ethylbenzene
  • NSC 74177
  • 4-Methyl-1-ethylbenzene

Work with 4-Ethyltoluene

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

1,4-Diethylbenzene105-05-571 % similar 1,2-Bis(4-methylphenyl)ethane538-39-663 % similar P-Xylene106-42-353 % similar Ethylbenzene100-41-452 % similar 4-Methylbenzyl bromide104-81-452 % similar 4-Methylbenzyl chloride104-82-552 % similar 4-Methylbenzylamine104-84-752 % similar 4-Ethylphenol123-07-952 % 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 1-Ethyl-3-methylbenzene620-14-4

Elsewhere

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