9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]- (CAS 13040-19-2) — Citrus Non-olfactive Note Fragrance Ingredient
9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]-
CAS 13040-19-2
What Is 9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]-?
This zinc salt of hydroxyoctadecenoic acid is a specialized ingredient primarily used in cosmetic formulations and industrial applications. Consumers might encounter it in skincare products where it functions as a stabilizer or viscosity modifier. While not a traditional fragrance ingredient, its presence can influence the texture and longevity of scented products.
Safety Profile
GENERALLY SAFEWhat Does 9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]- Smell Like?
This compound is odorless in its pure form, serving primarily as a functional ingredient rather than a fragrance component. Its molecular structure suggests it would not contribute directly to scent profiles, though it may indirectly affect fragrance performance through interactions with other ingredients in formulations.
2D Molecular Structure
SMILES: [Zn++].CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This zinc salt is derived from ricinoleic acid (12-hydroxy-9-octadecenoic acid), a monounsaturated fatty acid naturally occurring in castor oil. The synthetic process involves zinc cation exchange with the carboxylic acid group, creating a metal soap structure. The (Z) configuration indicates cis- geometry at the C9 double bond, while the R- designation specifies the stereochemistry at the C12 hydroxyl group.
Physical & Chemical Properties
| Appearance | Waxy solid |
|---|---|
| Melting Point | Data not available |
| Solubility | Lipophilic |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Cosmetics | 0.5-2% | Up to 5% | Texture modifier |
| Industrial | 1-3% | Up to 10% | Lubricant/stabilizer |
Classic Accords
Tip: Use as a rheology modifier in anhydrous systems where zinc compatibility is required.
Alternatives & Comparisons
More common zinc soap with similar texturizing properties but different fatty acid profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA as it is not a fragrance material.
RIFM Assessment
No RIFM assessment as this is not a fragrance material.
Sustainability
As a synthetic derivative of castor oil, this compound benefits from renewable sourcing of its precursor. Zinc salts generally have good environmental profiles due to low bioavailability and minimal ecological impact at typical usage levels.
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Physicochemical Properties
DTXSID: DTXSID30891887
Physical Properties
| Molecular Weight | 660.3 g/mol🔬 EPA CompTox |
| Density | 1.095 g/cm^3🔬 EPA CTX |
| Boiling Point | 347 °C📊 OPERA |
| Melting Point | 85.5 °C🔬 EPA CTX |
Partition & Solubility
| LogP (Octanol-Water) | 0.23 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | -0.08 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -1.69 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.17 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 120.72 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 6 count💻 Computed |
| Rotatable Bonds | 30 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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