Back to Search
Molecule
2,6-Dimethoxytoluene
CAS: 5673-07-4 · C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5673-07-4
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
5673-07-4
SMILES
COc1cccc(OC)c1C
InChI Key
FPEUDBGJAVKAEE-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3
Names and Synonyms
- 2,6-Dimethoxytoluene Synonym
- Benzene, 1,3-dimethoxy-2-methyl- Synonym
- Toluene, 2,6-dimethoxy- Synonym
- 1,3-Dimethoxy-2-methylbenzene Synonym
- 2-Methylresorcinol dimethyl ether Synonym
- 2,6-Dimethoxytoluene Synonym
- 2-Methyl-1,3-dimethoxybenzene Synonym
- NSC 62674 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.193 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=CC(OC)=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FPEUDBGJAVKAEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 39-41 °C | CAS Common Chemistry |
| Name | 2,6-Dimethoxytoluene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.01222 | RDKit |
| 2.0122 | RDKit | |
| 1.86 | chempirical lib | |
| Molar Refractivity | 44.28300000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 152.083729624 g/mol | RDKit |
| Boiling Point | 97-99 °C @ 15 Torr | CAS Common Chemistry |
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 = 152.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
