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Molecule
Zinc 2-Ethylhexanoate
CAS: 136-53-8 · C8H16O2Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 136-53-8
- Molecular Formula
- C8H16O2Zn
- Molecular Mass
- 209.60 g/mol
Identifiers
CAS Registry Number
136-53-8
SMILES
CCCCC(CC)C(=O)O.[Zn]
InChI Key
ZRXHQNQYIKVKNQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Zinc 2-Ethylhexanoate Common Name
- Hexanoic acid, 2-ethyl-, zinc salt (2:1) Synonym
- Hexanoic acid, 2-ethyl-, zinc salt Synonym
- Zinc bis(2-ethylcaproate) Synonym
- Zinc bis(2-ethylcapronate) Synonym
- Zinc di(2-ethylhexanoate) Synonym
- Zinc di(2-ethylhexoate) Synonym
- Zinc 2-ethylhexoate Synonym
- Zinc 2-ethylhexanoate Synonym
- Zinc ethylhexanoate Synonym
- Zinc 2-ethylcaproate Synonym
- Zinc 2-ethylhexylate Synonym
- Zinc α-ethylhexanoate Synonym
- Mellite 103 Synonym
- Mark 158 Synonym
- 2-Ethylhexanoic acid zinc salt Synonym
- Manosec Zn 22 Synonym
- Zinc octoate Synonym
- Therm-Chek 705 Synonym
- Car Zin 18 Synonym
- Zinc bis(2-ethyl hexanoate) Synonym
- SRCO 6 Synonym
- Zinc Hex-Cem Synonym
- Zinc(II) 2-ethylhexanoate Synonym
- Struktol ZEH Synonym
- CXZN 040 Synonym
- Nikka Octhix Zinc Synonym
- Octope Zn Synonym
- Bicat 3228M Synonym
- NUSA Zn Synonym
- Borchi Kat 22 Synonym
- Struktol ZEH-DL Synonym
- Bicat 3228 Synonym
- Zinc bis(2-ethylhexoate) Synonym
- Kat 22 Synonym
- K-KAT XK 635 Synonym
- Acima Zinkoctoat 18 Synonym
- Acima Zinc Octoate 18 Synonym
- TMG 612 Synonym
- D 15 (catalyst) Synonym
- D 15 Synonym
- D 15 (Catalyst) Synonym
- Struktol ZEH 75 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.60 g/mol | CAS Common Chemistry |
| 209.60399999999998 g/mol | RDKit | |
| 209.604 g/mol | RDKit | |
| 211.61 g/mol | chempirical lib | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.180 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Zn].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=ZRXHQNQYIKVKNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zinc 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 | 2.2849 | RDKit |
| Molar Refractivity | 40.9418 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 208.044171952 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 209.60 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
