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Molecule
2-Ethoxy-4-Methylphenol
CAS: 2563-07-7 · C9H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2563-07-7
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
2563-07-7
SMILES
CCOc1cc(C)ccc1O
InChI Key
ZWQBCCVEOIYNDL-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3
Names and Synonyms
- 2-Ethoxy-4-Methylphenol Synonym
- Phenol, 2-ethoxy-4-methyl- Synonym
- p-Cresol, 2-ethoxy- Synonym
- 2-Ethoxy-4-methylphenol Synonym
- 2-Ethoxy-p-cresol Synonym
- 4-Methyl-2-ethoxyphenol Synonym
- Ultravanil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.193 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWQBCCVEOIYNDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34-35 °C | CAS Common Chemistry |
| Name | 2-Ethoxy-4-methylphenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.09932 | RDKit |
| 2.0993 | RDKit | |
| Molar Refractivity | 44.01280000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 152.083729624 g/mol | RDKit |
| Boiling Point | 107-110 °C @ 14 Torr | CAS Common Chemistry |
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 = 152.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
