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Potassium Sorbate
CAS: 24634-61-5 | C6H8KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24634-61-5
Molecular Formula:
C6H8KO2
Molecular Mass:
151.23 g/mol
Names and Synonyms:
Potassium Sorbate
2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)-
Sorbic acid, potassium salt
2,4-Hexadienoic acid, potassium salt, (E,E)-
2,4-Hexadienoic acid, potassium salt, (2E,4E)-
Potassium sorbate
E 202
Potassium (E,E)-hexa-2,4-dienoate
E 202 (preservative)
K 60/95
PO 300
Identifiers:
SMILES:
C/C=C/C=C/C(=O)O.[K]
InChI:
InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;
Key Properties
Melting Point
>270 °C (decomp)
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 | 151.23 g/mol | CAS Common Chemistry |
| 151.226 g/mol | RDKit | |
| 151.016136176 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_sorbate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(O)C=CC=CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+; | CAS Common Chemistry |
| InChI Key | InChIKey=OXPHNMOARHEBGH-STWYSWDKSA-N | CAS Common Chemistry |
| Melting Point | >270 °C (decomp) | CAS Common Chemistry |
| Name | Potassium sorbate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.8225 | RDKit |
| Molar Refractivity | 37.343799999999995 | RDKit |
