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Potassium 2-Ethylhexanoate
CAS: 3164-85-0 | C8H16KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3164-85-0
Molecular Formula:
C8H16KO2
Molecular Mass:
183.31 g/mol
Names and Synonyms:
Potassium 2-Ethylhexanoate
Hexanoic acid, 2-ethyl-, potassium salt (1:1)
Pelcat 9540
Pelron 9540
Pucat 15G
Hex-Cem K 15
Dabco K 5
Nikka Octhix Potassium
Tegokat K 15
K 15
NUSA K
P 0048
Pelcat 9540A
Voracor CM 822
K-Zero 3000
Hexanoic acid, 2-ethyl-, potassium salt
Potassium 2-ethylcapronate
T 45
2-Ethylhexanoic acid potassium salt
Dabco K 15
Potassium 2-ethylhexanoate
Potassium Hex-Cem
Hexcem 977
Dabco T 45
T 45 (catalyst)
B 15G
Identifiers:
SMILES:
CCCCC(CC)C(=O)O.[K]
InChI:
InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
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 | 183.31 g/mol | CAS Common Chemistry |
| 183.312 g/mol | RDKit | |
| 183.078736432 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_2-ethylhexanoate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=LXUNKDFIOZFCAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium 2-ethylhexanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 | RDKit |
