Back to Search
Molecule
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
Identifiers
CAS Registry Number
13040-19-2
SMILES
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)O.[Zn]
InChI Key
OIJQSPQODYCEJI-DPMBMXLASA-N
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
Names and Synonyms
- Zinc Ricinoleate Common Name
- Tego Sorb B 80 Synonym
- 9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), (9Z,12R)- Synonym
- Ricinoleic acid, zinc salt (2:1) Synonym
- 9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]- Synonym
- Zinc ricinoleate Synonym
- Tego Sorb A 30 Synonym
- Kosmos 54 Synonym
- Tego Sorb PY 88TQ Synonym
- Tego Sorb PY 88 Synonym
- Tego Sorb 80 Synonym
- PY 88TQ Synonym
- Lethal Field Spray Synonym
- Lethal Field Spray and Activator Synonym
- Lethal Human Scent Eliminator Field Spray & Activator Synonym
- Polyfix Osorb Synonym
- Sorb 80 Synonym
- Zinc diricinoleate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.86 g/mol | CAS Common Chemistry |
| 363.8569999999999 g/mol | RDKit | |
| 363.857 g/mol | RDKit | |
| 365.863 g/mol | chempirical lib | |
| 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 |
| 5.0768 | RDKit | |
| Molar Refractivity | 88.47760000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 362.17993714799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 363.86 g/mol. Edit any field — others recompute live.
