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Phenoxyethanol
CAS: 122-99-6 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 122-99-6
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
122-99-6
SMILES
OCCOc1ccccc1
InChI Key
QCDWFXQBSFUVSP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Names and Synonyms
- Phenoxyethanol Synonym
- Ethanol, 2-phenoxy- Synonym
- 2-Phenoxyethanol Synonym
- Arosol Synonym
- Dowanol EP Synonym
- Ethylene glycol monophenyl ether Synonym
- β-Hydroxyethyl phenyl ether Synonym
- 1-Hydroxy-2-phenoxyethane Synonym
- Phenoxethol Synonym
- Phenoxetol Synonym
- Phenoxyethyl alcohol Synonym
- Phenyl cellosolve Synonym
- Phenoxyethanol Synonym
- 2-Hydroxyethyl phenyl ether Synonym
- β-Phenoxyethyl alcohol Synonym
- β-Phenoxyethanol Synonym
- 2-Phenoxyethyl alcohol Synonym
- Ethylene glycol phenyl ether Synonym
- Dalpad A Synonym
- Dowanol EPh Synonym
- H 4644 Synonym
- Newpol EFP Synonym
- (2-Hydroxyethoxy)benzene Synonym
- Rokafenol F 1 Synonym
- Plastilit DS 3431 Synonym
- PHE-G Synonym
- Phenova Synonym
- PHE Synonym
- PHE (alcohol) Synonym
- PHE-S Synonym
- NSC 1864 Synonym
- Sepicide LD Synonym
- Hisolve EPH Synonym
- Emeressence 1160 Synonym
- Euxyl PE 90120 Synonym
- Agrisol PX 401 Synonym
- Ultrasolve P 240A Synonym
- PhG Synonym
- RGP 55 Synonym
- Protectol PE Synonym
- Glycol Ether EPh Synonym
- Phenyl Glycol Synonym
- JS-EPh Synonym
- NEOLONE PH 100 Synonym
- HYSOLVE EPH Synonym
- Kafurekuto PE 1 Synonym
- Phenoxyethanol SP Synonym
- Acticide PHE 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 | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1094 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenoxyethanol | CAS Common Chemistry |
| Canonical SMILES | OCCOC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QCDWFXQBSFUVSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 14 °C | CAS Common Chemistry |
| Name | Phenoxyethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.0576999999999999 | RDKit |
| 1.0577 | RDKit | |
| Molar Refractivity | 39.02280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
| Boiling Point | 245.2 °C @ 760 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
Related
Related molecules
Other compounds with formula C8H10O2.
