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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 Weight:
138.16599999999997 g/mol
Names and Synonyms:
Phenoxyethanol
Ethanol, 2-phenoxy-
2-Phenoxyethanol
Arosol
Dowanol EP
Ethylene glycol monophenyl ether
β-Hydroxyethyl phenyl ether
1-Hydroxy-2-phenoxyethane
Phenoxethol
Phenoxetol
Phenoxyethyl alcohol
Phenyl cellosolve
Phenoxyethanol
2-Hydroxyethyl phenyl ether
β-Phenoxyethyl alcohol
β-Phenoxyethanol
2-Phenoxyethyl alcohol
Ethylene glycol phenyl ether
Dalpad A
Dowanol EPh
H 4644
Newpol EFP
(2-Hydroxyethoxy)benzene
Rokafenol F 1
Plastilit DS 3431
PHE-G
Phenova
PHE
PHE (alcohol)
PHE-S
NSC 1864
Sepicide LD
Hisolve EPH
Emeressence 1160
Euxyl PE 90120
Agrisol PX 401
Ultrasolve P 240A
PhG
RGP 55
Protectol PE
Glycol Ether EPh
Phenyl Glycol
JS-EPh
NEOLONE PH 100
HYSOLVE EPH
Kafurekuto PE 1
Phenoxyethanol SP
Acticide PHE
Identifiers:
SMILES:
OCCOc1ccccc1
InChI:
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.16599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0576999999999999 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenoxyethanol None | Legacy Database |
| cas-boiling-point | 245.2 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCCOC=1C=CC=CC1 None | Legacy Database |
| cas-density | 1.1094 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=QCDWFXQBSFUVSP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 14 °C None | Legacy Database |
| cas-name | Phenoxyethanol None | Legacy Database |
| wikipedia-name | Phenoxyethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.02280000000002 | RDKit |
