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Ethyl Maltol
CAS: 4940-11-8 | C7H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4940-11-8
Molecular Formula:
C7H8O3
Molecular Mass:
140.14 g/mol
Names and Synonyms:
Ethyl Maltol
4H-Pyran-4-one, 2-ethyl-3-hydroxy-
2-Ethyl-3-hydroxy-4H-pyran-4-one
2-Ethylpyromeconic acid
3-Hydroxy-2-ethyl-1,4-pyrone
3-Hydroxy-2-ethyl-4-pyrone
3-Hydroxy-2-ethyl-γ-pyrone
2-Ethyl-3-hydroxy-4-pyrone
Veltol plus
Ethyl maltol
NSC 638851
2-Ethyl-3-hydroxypyran-4-one
2-Ethyl-3-hydroxy-pyran-4-one
Identifiers:
SMILES:
CCc1occc(=O)c1O
InChI:
InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
Key Properties
Melting Point
89-93 °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 | 140.14 g/mol | CAS Common Chemistry |
| 140.13799999999998 g/mol | RDKit | |
| 140.047344116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_maltol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=COC(=C1O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YIKYNHJUKRTCJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-93 °C | CAS Common Chemistry |
| Name | Ethyl maltol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.44 Ų | RDKit |
| LogP | 0.9077999999999999 | RDKit |
| Molar Refractivity | 36.0208 | RDKit |
