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Zinc Ricinoleate
CAS: 13040-19-2 | C18H34O3Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13040-19-2
Molecular Formula:
C18H34O3Zn
Molecular Mass:
363.86 g/mol
Names and Synonyms:
Zinc Ricinoleate
Tego Sorb B 80
9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), (9Z,12R)-
Ricinoleic acid, zinc salt (2:1)
9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]-
Zinc ricinoleate
Tego Sorb A 30
Kosmos 54
Tego Sorb PY 88TQ
Tego Sorb PY 88
Tego Sorb 80
PY 88TQ
Lethal Field Spray
Lethal Field Spray and Activator
Lethal Human Scent Eliminator Field Spray & Activator
Polyfix Osorb
Sorb 80
Zinc diricinoleate
Identifiers:
SMILES:
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)O.[Zn]
InChI:
InChI=1S/C18H34O3.Zn/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1
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 | 363.86 g/mol | CAS Common Chemistry |
| 363.8569999999999 g/mol | RDKit | |
| 362.17993714799996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_ricinoleate | CAS Common Chemistry |
| Canonical SMILES | [Zn].O=C(O)CCCCCCCC=CCC(O)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O3.Zn/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OIJQSPQODYCEJI-DPMBMXLASA-N | CAS Common Chemistry |
| Name | Zinc ricinoleate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 5.076800000000004 | RDKit |
| Molar Refractivity | 88.47760000000007 | RDKit |
