Back to Search
2,4-Dimethylbenzaldehyde
CAS: 15764-16-6 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15764-16-6
Molecular Formula:
C9H10O
Molecular Mass:
134.18 g/mol
Names and Synonyms:
2,4-Dimethylbenzaldehyde
Benzaldehyde, 2,4-dimethyl-
2,4-Dimethylbenzaldehyde
2,4-Dimethylbenzenecarboxaldehyde
2,4-Methylbenzenecarboxaldehyde
Identifiers:
SMILES:
Cc1ccc(C=O)c(C)c1
InChI:
InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
Key Properties
Boiling Point
114 °C @ Press: 20 Torr
CAS Common Chemistry
Density
0.93 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 | 134.18 g/mol | CAS Common Chemistry |
| 134.178 g/mol | RDKit | |
| 134.07316494 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9328 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 114 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(C=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GISVICWQYMUPJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4-Dimethylbenzaldehyde | 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 | 2.11594 | RDKit |
| Molar Refractivity | 41.303500000000014 | RDKit |
