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Zinc 2-Ethylhexanoate
CAS: 136-53-8 | C8H16O2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
136-53-8
Molecular Formula:
C8H16O2Zn
Molecular Mass:
209.60 g/mol
Names and Synonyms:
Zinc 2-Ethylhexanoate
Hexanoic acid, 2-ethyl-, zinc salt (2:1)
Hexanoic acid, 2-ethyl-, zinc salt
Zinc bis(2-ethylcaproate)
Zinc bis(2-ethylcapronate)
Zinc di(2-ethylhexanoate)
Zinc di(2-ethylhexoate)
Zinc 2-ethylhexoate
Zinc 2-ethylhexanoate
Zinc ethylhexanoate
Zinc 2-ethylcaproate
Zinc 2-ethylhexylate
Zinc α-ethylhexanoate
Mellite 103
Mark 158
2-Ethylhexanoic acid zinc salt
Manosec Zn 22
Zinc octoate
Therm-Chek 705
Car Zin 18
Zinc bis(2-ethyl hexanoate)
SRCO 6
Zinc Hex-Cem
Zinc(II) 2-ethylhexanoate
Struktol ZEH
CXZN 040
Nikka Octhix Zinc
Octope Zn
Bicat 3228M
NUSA Zn
Borchi Kat 22
Struktol ZEH-DL
Bicat 3228
Zinc bis(2-ethylhexoate)
Kat 22
K-KAT XK 635
Acima Zinkoctoat 18
Acima Zinc Octoate 18
TMG 612
D 15 (catalyst)
D 15
D 15 (Catalyst)
Struktol ZEH 75
Identifiers:
SMILES:
CCCCC(CC)C(=O)O.[Zn]
InChI:
InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Key Properties
Density
1.18 g/cm³
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 | 209.60 g/mol | CAS Common Chemistry |
| 209.60399999999998 g/mol | RDKit | |
| 208.044171952 g/mol | RDKit | |
| 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 | RDKit |
