Ethyl phenyl ether

C8H10OCAS 103-73-1122.17 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C8H10O
Molar mass
122.17 g/mol
Exact mass
122.0732 Da
Density
0.967 g/mL (at 20 °C)
Melting point
−30 °C
Boiling point
171–173 °C
Critical temperature
374.0 °C (647.1 K)ChemSep
Critical pressure
34.2 barChemSep
Acentric factor
0.418ChemSep
Enthalpy of formation (gas)
−101.70 kJ/molChemSep
Flash point
62.8 °C
logP
2.09Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
103-73-1
SMILES
CCOc1ccccc1
InChIKey
DLRJIFUOBPOJNS-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.27 (t, J = 7.7 Hz, 2H), 6.92 (tt, J = 7.7, 1.6 Hz, 1H), 6.88 (dd, J = 7.7, 1.6 Hz, 2H), 4.00 (q, J = 7.0 Hz, 2H), 1.36 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 159.8, 129.4, 120.7, 114.0, 65.1, 14.3.
[M + H]+
[M + H]+ Calcd for C8H11O 123.0804
[M + Na]+
[M + Na]+ Calcd for C8H10NaO 145.0624
[M − H]−
[M − H]− Calcd for C8H9O 121.0659
Elemental analysis
Anal. Calcd for C8H10O: C, 78.65; H, 8.25.

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Names and synonyms

7 names
  • Benzene, ethoxy-
  • Phenetole
  • Ethoxybenzene
  • Phenyl ethyl ether
  • Phenoxyethane
  • Phenetol
  • NSC 406706

Work with Ethyl phenyl ether

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-Diethoxybenzene122-95-274 % similar 1,3-Diethoxybenzene2049-73-268 % similar 1,2-Diphenoxyethane104-66-565 % similar Butyl phenyl ether1126-79-060 % similar 1,2-Diethoxybenzene2050-46-659 % similar 4-Ethoxypyridine33399-46-158 % similar p-Phenetidine156-43-456 % similar 1-Ethoxy-4-fluorobenzene459-26-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylanisole100-84-5 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 1-Phenylethanol13323-81-4 (S)-1-Phenylethanol1445-91-6 2,7-Dimethyloxepine1487-99-6

Elsewhere

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