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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 Weight:
209.60399999999998 g/mol
Names and Synonyms:
Zinc 2-Ethylhexanoate
Common Name
Struktol ZEH 75
Synonym
D 15 (Catalyst)
Synonym
D 15
Synonym
D 15 (catalyst)
Synonym
TMG 612
Synonym
Acima Zinc Octoate 18
Synonym
Acima Zinkoctoat 18
Synonym
K-KAT XK 635
Synonym
Kat 22
Synonym
Zinc bis(2-ethylhexoate)
Synonym
Bicat 3228
Synonym
Struktol ZEH-DL
Synonym
Borchi Kat 22
Synonym
NUSA Zn
Synonym
Bicat 3228M
Synonym
Octope Zn
Synonym
Nikka Octhix Zinc
Synonym
CXZN 040
Synonym
Struktol ZEH
Synonym
Zinc(II) 2-ethylhexanoate
Synonym
Zinc Hex-Cem
Synonym
SRCO 6
Synonym
Zinc bis(2-ethyl hexanoate)
Synonym
Car Zin 18
Synonym
Therm-Chek 705
Synonym
Zinc octoate
Synonym
Manosec Zn 22
Synonym
2-Ethylhexanoic acid zinc salt
Synonym
Mark 158
Synonym
Mellite 103
Synonym
Zinc α-ethylhexanoate
Synonym
Zinc 2-ethylhexylate
Synonym
Zinc 2-ethylcaproate
Synonym
Zinc ethylhexanoate
Synonym
Zinc 2-ethylhexanoate
Synonym
Zinc 2-ethylhexoate
Synonym
Zinc di(2-ethylhexoate)
Synonym
Zinc di(2-ethylhexanoate)
Synonym
Zinc bis(2-ethylcapronate)
Synonym
Zinc bis(2-ethylcaproate)
Synonym
Hexanoic acid, 2-ethyl-, zinc salt
Synonym
Hexanoic acid, 2-ethyl-, zinc salt (2:1)
Synonym
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);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 209.60399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 208.044171952 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.2849 | RDKit |
| molecular_mass | 209.60 g/mol | Legacy Database |
| density | 1.18 g/cm³ | Legacy Database |
| cas-canonical-smile | [Zn].O=C(O)C(CC)CCCC None | Legacy Database |
| cas-density | 1.180 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); None | Legacy Database |
| cas-inchi-key | InChIKey=ZRXHQNQYIKVKNQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Zinc 2-ethylhexanoate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.9418 | RDKit |