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Tyrosol
CAS: 501-94-0 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
501-94-0
Molecular Formula:
C8H10O2
Molecular Weight:
138.16599999999997 g/mol
Names and Synonyms:
Tyrosol
Benzeneethanol, 4-hydroxy-
Tyrosol
Phenethyl alcohol, p-hydroxy-
4-Hydroxybenzeneethanol
p-Hydroxyphenethyl alcohol
β-(p-Hydroxyphenyl)ethanol
p-Tyrosol
β-(4-Hydroxyphenyl)ethanol
2-(4-Hydroxyphenyl)ethanol
2-(p-Hydroxyphenyl)ethanol
4-(2-Hydroxyethyl)phenol
4-Hydroxyphenethyl alcohol
p-(2-Hydroxyethyl)phenol
4-Hydroxyphenylethanol
2-(4-Hydroxyphenyl)ethyl alcohol
Tyrosol C
NSC 59876
p-HPEA
Identifiers:
SMILES:
OCCc1ccc(O)cc1
InChI:
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
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 | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.927 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tyrosol None | Legacy Database |
| cas-boiling-point | 310 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1)CCO None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YCCILVSKPBXVIP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 90 °C None | Legacy Database |
| cas-name | Tyrosol None | Legacy Database |
| wikipedia-name | Tyrosol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.896600000000014 | RDKit |
