Back to Search
2′-Methylacetophenone
CAS: 577-16-2 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
577-16-2
Molecular Formula:
C9H10O
Molecular Mass:
134.18 g/mol
Names and Synonyms:
2′-Methylacetophenone
Ethanone, 1-(2-methylphenyl)-
Acetophenone, 2′-methyl-
Acetophenone, o-methyl-
1-(2-Methylphenyl)ethanone
o-Methylacetophenone
2′-Methylacetophenone
o-Acetyltoluene
2-Acetyltoluene
Methyl 2-methylphenyl ketone
2-Methylphenyl methyl ketone
Methyl o-tolyl ketone
1-(2-Tolyl)ethanone
NSC 84233
1-(o-Tolyl)ethanone
1-(2-Methylphenyl)ethan-1-one
(o-Tolyl)ethan-1-one
1-(o-Tolyl)ethan-1-one
Identifiers:
SMILES:
CC(=O)c1ccccc1C
InChI:
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
Key Properties
Boiling Point
214 °C
CAS Common Chemistry
Melting Point
107-108 °C
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 | 134.18 g/mol | CAS Common Chemistry |
| 134.17799999999997 g/mol | RDKit | |
| 134.07316494 g/mol | RDKit | |
| Boiling Point | 214 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXWWHNCQZBVZPV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-108 °C | CAS Common Chemistry |
| Name | 2′-Methylacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.1976200000000006 | RDKit |
| Molar Refractivity | 41.183500000000016 | RDKit |
