Back to Search
Molecule
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 Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
501-94-0
SMILES
OCCc1ccc(O)cc1
InChI Key
YCCILVSKPBXVIP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
Names and Synonyms
- Tyrosol Synonym
- Benzeneethanol, 4-hydroxy- Synonym
- Tyrosol Synonym
- Phenethyl alcohol, p-hydroxy- Synonym
- 4-Hydroxybenzeneethanol Synonym
- p-Hydroxyphenethyl alcohol Synonym
- β-(p-Hydroxyphenyl)ethanol Synonym
- p-Tyrosol Synonym
- β-(4-Hydroxyphenyl)ethanol Synonym
- 2-(4-Hydroxyphenyl)ethanol Synonym
- 2-(p-Hydroxyphenyl)ethanol Synonym
- 4-(2-Hydroxyethyl)phenol Synonym
- 4-Hydroxyphenethyl alcohol Synonym
- p-(2-Hydroxyethyl)phenol Synonym
- 4-Hydroxyphenylethanol Synonym
- 2-(4-Hydroxyphenyl)ethyl alcohol Synonym
- Tyrosol C Synonym
- NSC 59876 Synonym
- p-HPEA 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tyrosol | CAS Common Chemistry |
| Boiling Point | 310 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YCCILVSKPBXVIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | Tyrosol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.927 | RDKit |
| Molar Refractivity | 38.896600000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
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
Convert
Quick conversion
MW = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
