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Zinc Octanoate
CAS: 557-09-5 | C8H16O2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-09-5
Molecular Formula:
C8H16O2Zn
Molecular Mass:
209.60 g/mol
Names and Synonyms:
Zinc Octanoate
Octanoic acid, zinc salt (2:1)
Octanoic acid, zinc salt
Zinc octanoate
Zinc caprylate
Zinc octoate
Zinc octylate
Zinc dioctylate
Zinc (II) octoate
Siccatol ZN 12
O/S Zink 10 Aqua
Baerostab L 230
Stabilol VZN 1950
Z 08
LBZ 732
Octoate Z
Zn Octoate
Zinc(II) bis(n-octoate)
PP 23
Caprylic acid zinc salt
Octlife ZnS
Z 08 (stabilizer)
Plastistab 2275
Z 08N
K-KAT XK 661
Valirex Zn 8.0
Valirex Zn 8
Identifiers:
SMILES:
CCCCCCCC(=O)O.[Zn]
InChI:
InChI=1S/C8H16O2.Zn/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);
Key Properties
Melting Point
136 °C
CAS Common Chemistry
Density
1.19 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 | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Zn].O=C(O)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Zn/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=SVKHPROIBKURCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | Zinc octanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.4290000000000003 | RDKit |
| Molar Refractivity | 41.0118 | RDKit |
