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Molecule
Ethyl Phenyl Ether
CAS: 103-73-1 · C8H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-73-1
- Molecular Formula
- C8H10O
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
103-73-1
SMILES
CCOc1ccccc1
InChI Key
DLRJIFUOBPOJNS-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Names and Synonyms
- Ethyl Phenyl Ether Synonym
- Benzene, ethoxy- Synonym
- Phenetole Synonym
- Ethoxybenzene Synonym
- Ethyl phenyl ether Synonym
- Phenyl ethyl ether Synonym
- Phenoxyethane Synonym
- Phenetol Synonym
- NSC 406706 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999996 g/mol | RDKit | |
| 122.167 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.967 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 122.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 122.17 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O.
