chempirical

4-Ethylphenyl acetate

C10H12O2CAS 3245-23-6164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Boiling point
109–124 °C (at 13 Torr)
logP
2.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
3245-23-6
SMILES
CCc1ccc(OC(C)=O)cc1
InChIKey
ANMYMLIUCWWISO-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 4-ethyl-, 1-acetate
  • Phenol, p-ethyl-, acetate
  • Phenol, 4-ethyl-, acetate
  • p-Ethylphenyl acetate
  • 4-Acetoxyethylbenzene
  • NSC 6705

Work with 4-Ethylphenyl acetate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroquinone diacetate1205-91-069 % similar 4,4'-Diacetoxybiphenyl32604-29-862 % similar 4-(p-Acetoxyphenyl)-2-butanone3572-06-362 % similar 4-Methylphenyl acetate140-39-658 % similar Phenyl acetate122-79-257 % similar p-Aminophenyl acetate13871-68-656 % similar 4-Fluorophenyl acetate405-51-656 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook