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2-(3-Methylphenoxy)Ethanol
CAS: 13605-19-1 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13605-19-1
Molecular Formula:
C9H12O2
Molecular Weight:
152.193 g/mol
Names and Synonyms:
2-(3-Methylphenoxy)Ethanol
2-Hydroxyethyl m-tolyl ether
2-(3-Methylphenoxy)ethan-1-ol
NSC 523916
Ethylene glycol m-cresyl ether
2-(3-Tolyloxy)ethanol
2-(m-Tolyloxy)ethanol
m-Cresoxyethanol
2-(3-Methylphenoxy)ethanol
Ethanol, 2-(m-tolyloxy)-
Ethanol, 2-(3-methylphenoxy)-
Identifiers:
SMILES:
Cc1cccc(OCCO)c1
InChI:
InChI=1S/C9H12O2/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7,10H,5-6H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.193 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Physical Properties | LogP | 1.3661199999999998 | RDKit |
| molecular_mass | 152.19 g/mol | Legacy Database | |
| density | 1.11 g/cm³ | Legacy Database | |
| cas-boiling-point | 145-147 °C @ Press: 19 Torr | Legacy Database | |
| cas-canonical-smile | OCCOC1=CC=CC(=C1)C | Legacy Database | |
| cas-density | 1.1097 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7,10H,5-6H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=FDBXUXVQIOQYIX-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 2-(3-Methylphenoxy)ethanol | Legacy Database | |
| Molar | Molar Refractivity | 43.75980000000002 | RDKit |
