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Molecule
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
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
Quick conversion
MW = 138.17 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
