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Molecule
1,2-Dimethoxybenzene
CAS: 91-16-7 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-16-7
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
91-16-7
SMILES
COc1ccccc1OC
InChI Key
ABDKAPXRBAPSQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
Names and Synonyms
- 1,2-Dimethoxybenzene Synonym
- Benzene, 1,2-dimethoxy- Synonym
- Benzene, o-dimethoxy- Synonym
- 1,2-Dimethoxybenzene Synonym
- o-Dimethoxybenzene Synonym
- Pyrocatechol dimethyl ether Synonym
- Veratrol Synonym
- Veratrole Synonym
- O,O-Dimethylcatechol Synonym
- Methylguaiacol Synonym
- Catechol dimethyl ether Synonym
- o-Methoxyanisole Synonym
- o-Hydroquinone dimethyl ether Synonym
- 2-Methoxyanisole Synonym
- NSC 16934 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 | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2052 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dimethoxybenzene | CAS Common Chemistry |
| Boiling Point | 206 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ABDKAPXRBAPSQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22.5 °C | CAS Common Chemistry |
| Name | Veratrole | CAS Common Chemistry |
| 1,2-Dimethoxybenzene | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | 1.7038 | RDKit |
| Molar Refractivity | 39.546000000000014 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
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Quick conversion
MW = 138.17 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
