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3-Hydroxybenzeneethanol
CAS: 13398-94-2 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13398-94-2
Molecular Formula:
C8H10O2
Molecular Mass:
138.17 g/mol
Names and Synonyms:
3-Hydroxybenzeneethanol
Benzeneethanol, 3-hydroxy-
Phenethyl alcohol, m-hydroxy-
3-Hydroxybenzeneethanol
m-Hydroxyphenethyl alcohol
m-Tyrosol
2-(m-Hydroxyphenyl)ethanol
3-(β-Hydroxyethyl)phenol
2-(3-Hydroxyphenyl)ethanol
1,3-Tyrosol
2-(3-Hydroxyphenyl)ethyl alcohol
3-Hydroxyphenethyl alcohol
NSC 101846
3-(2-Hydroxyethyl)phenol
m-Hydroxyphenylethyl alcohol
Identifiers:
SMILES:
OCCc1cccc(O)c1
InChI:
InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
Key Properties
Boiling Point
168-173 °C @ Press: 4 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16599999999997 g/mol | RDKit | |
| 138.06807956 g/mol | RDKit | |
| Boiling Point | 168-173 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AMQIPHZFLIDOCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Hydroxybenzeneethanol | 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 | 0.9269999999999998 | RDKit |
| Molar Refractivity | 38.896600000000014 | RDKit |
