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2-Methylanisole
CAS: 578-58-5 | C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
578-58-5
Molecular Formula:
C8H10O
Molecular Mass:
122.17 g/mol
Names and Synonyms:
2-Methylanisole
Benzene, 1-methoxy-2-methyl-
Anisole, o-methyl-
1-Methoxy-2-methylbenzene
o-Cresyl methyl ether
o-Methylanisole
Methyl o-cresyl ether
Methyl o-tolyl ether
2-Methylanisole
o-Methoxytoluene
2-Methoxytoluene
o-Cresol methyl ether
Methyl o-methylphenyl ether
2-Methyl-1-methoxybenzene
2-Cresol methyl ether
NSC 6253
NK 409
Identifiers:
SMILES:
COc1ccccc1C
InChI:
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
Key Properties
Boiling Point
171 °C
CAS Common Chemistry
Melting Point
-34.1 °C
CAS Common Chemistry
Density
0.98 g/cm³
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 | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999997 g/mol | RDKit | |
| 122.07316494 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9798 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 171 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DTFKRVXLBCAIOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -34.1 °C | CAS Common Chemistry |
| Name | 2-Methylanisole | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.0036199999999997 | RDKit |
| Molar Refractivity | 37.73100000000001 | RDKit |
