Back to Search
4′-Ethylacetophenone
CAS: 937-30-4 | C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
937-30-4
Molecular Formula:
C10H12O
Molecular Mass:
148.20 g/mol
Names and Synonyms:
4′-Ethylacetophenone
Ethanone, 1-(4-ethylphenyl)-
Acetophenone, 4′-ethyl-
Acetophenone, p-ethyl-
1-(4-Ethylphenyl)ethanone
p-Ethylacetophenone
p-Acetylethylbenzene
4′-Ethylacetophenone
p-Ethylphenyl methyl ketone
1-Acetyl-4-ethylbenzene
NSC 6768
p-Ethyl-hypnone
1-(4-Ethylphenyl)ethan-1-one
Identifiers:
SMILES:
CCc1ccc(C(C)=O)cc1
InChI:
InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
Key Properties
Boiling Point
125 °C
CAS Common Chemistry
Melting Point
-20.6 °C
CAS Common Chemistry
Density
0.99 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 | 148.20 g/mol | CAS Common Chemistry |
| 148.20499999999998 g/mol | RDKit | |
| 148.088815004 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.99272 g/cm3 @ Temp: 420 °C | CAS Common Chemistry | |
| Boiling Point | 125 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(C=C1)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NODGRWCMFMEGJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20.6 °C | CAS Common Chemistry |
| Name | 4′-Ethylacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.451600000000001 | RDKit |
| Molar Refractivity | 45.82450000000003 | RDKit |
