Back to Search
Ethyl Phenyl Ether
CAS: 103-73-1 | C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-73-1
Molecular Formula:
C8H10O
Molecular Mass:
122.17 g/mol
Names and Synonyms:
Ethyl Phenyl Ether
Benzene, ethoxy-
Phenetole
Ethoxybenzene
Ethyl phenyl ether
Phenyl ethyl ether
Phenoxyethane
Phenetol
NSC 406706
Identifiers:
SMILES:
CCOc1ccccc1
InChI:
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Key Properties
Boiling Point
171-173 °C
CAS Common Chemistry
Melting Point
-30.0 °C
CAS Common Chemistry
Density
0.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999996 g/mol | RDKit | |
| 122.07316494 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.967 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_phenyl_ether | CAS Common Chemistry |
| Boiling Point | 171-173 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DLRJIFUOBPOJNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30.0 °C | CAS Common Chemistry |
| Name | Phenetole | CAS Common Chemistry |
| Ethyl phenyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.0853 | RDKit |
| Molar Refractivity | 37.61100000000001 | RDKit |
