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Molecule
Potassium 2-Ethylhexanoate
CAS: 3164-85-0 · C8H16KO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3164-85-0
- Molecular Formula
- C8H16KO2
- Molecular Mass
- 183.31 g/mol
Identifiers
CAS Registry Number
3164-85-0
SMILES
CCCCC(CC)C(=O)O.[K]
InChI Key
LXUNKDFIOZFCAK-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Potassium 2-Ethylhexanoate Common Name
- Hexanoic acid, 2-ethyl-, potassium salt (1:1) Synonym
- Pelcat 9540 Synonym
- Pelron 9540 Synonym
- Pucat 15G Synonym
- Hex-Cem K 15 Synonym
- Dabco K 5 Synonym
- Nikka Octhix Potassium Synonym
- Tegokat K 15 Synonym
- K 15 Synonym
- NUSA K Synonym
- P 0048 Synonym
- Pelcat 9540A Synonym
- Voracor CM 822 Synonym
- K-Zero 3000 Synonym
- Hexanoic acid, 2-ethyl-, potassium salt Synonym
- Potassium 2-ethylcapronate Synonym
- T 45 Synonym
- 2-Ethylhexanoic acid potassium salt Synonym
- Dabco K 15 Synonym
- Potassium 2-ethylhexanoate Synonym
- Potassium Hex-Cem Synonym
- Hexcem 977 Synonym
- Dabco T 45 Synonym
- T 45 (catalyst) Synonym
- B 15G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.31 g/mol | CAS Common Chemistry |
| 183.312 g/mol | RDKit | |
| 184.32 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 183.078736432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 183.31 g/mol. Edit any field — others recompute live.
