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Molecule
2-Ethoxyphenol
CAS: 94-71-3 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-71-3
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
94-71-3
SMILES
CCOc1ccccc1O
InChI Key
MOEFFSWKSMRFRQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
Names and Synonyms
- 2-Ethoxyphenol Systematic Name
- Phenol, 2-ethoxy- Synonym
- Phenol, o-ethoxy- Synonym
- 2-Ethoxyphenol Synonym
- Guaethol Synonym
- Guethol Synonym
- o-Ethoxyphenol Synonym
- Catechol monoethyl ether Synonym
- 1-Hydroxy-2-ethoxybenzene Synonym
- Pyrocatechol monoethyl ether Synonym
- NSC 1809 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16599999999997 g/mol | RDKit | |
| 138.166 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0903 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 217 °C | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MOEFFSWKSMRFRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | 2-Ethoxyphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.7908999999999997 | RDKit |
| 1.7909 | RDKit | |
| Molar Refractivity | 39.27580000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 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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Quick conversion
MW = 138.17 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
