Dodecanoic acid, 2,3-dihydroxypropyl ester (CAS 142-18-7) — Citrus Non-odorous Note Fragrance Ingredient
Dodecanoic acid, 2,3-dihydroxypropyl ester
CAS 142-18-7
What Is Dodecanoic acid, 2,3-dihydroxypropyl ester?
Dodecanoic acid, 2,3-dihydroxypropyl ester is a synthetic ingredient primarily used in cosmetic formulations. It functions as an emollient and texture enhancer in products like lotions and creams. While odorless itself, it helps stabilize fragrance compositions by modifying viscosity and improving skin feel.
Safety Profile
GENERALLY SAFEWhat Does Dodecanoic acid, 2,3-dihydroxypropyl ester Smell Like?
This ester is odorless in pure form, serving primarily as a functional carrier in fragrance systems. Its molecular structure allows it to subtly modify the diffusion of aromatic compounds without contributing its own scent profile. When blended, it can slightly round out sharp top notes and extend the longevity of heart notes through viscosity effects.
2D Molecular Structure
SMILES: CCCCCCCCCCCC(=O)OCC(O)CO
Chemistry, Properties & Perfumer Guide
The Chemistry
Dodecanoic acid, 2,3-dihydroxypropyl ester is a diester formed from lauric acid and glycerol. The molecule features a twelve-carbon fatty acid chain esterified to a glycerin backbone. Industrial synthesis typically involves direct esterification of lauric acid with glycerol under acidic conditions. The compound’s amphiphilic nature gives it both oil-soluble and water-dispersible properties.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Function | Emollient, viscosity modifier |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Skin Care | 1-5% | Up to 10% | Texture enhancer |
| Hair Care | 0.5-3% | Up to 5% | Conditioning agent |
Classic Accords
Tip: Use as a neutral base to modify fragrance release rates without altering scent profile.
Alternatives & Comparisons
Similar emollient properties with slightly lighter texture. Preferred when faster absorption is desired.
Offers comparable viscosity modification with additional emulsifying capabilities for cream formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply
RIFM Assessment
Considered safe for topical use at current industry concentrations.
Sustainability
As a synthetic ester, this compound is produced through controlled chemical processes with minimal environmental impact. The lauric acid feedstock can be derived from renewable plant sources. Manufacturing typically follows green chemistry principles with high atom economy.
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Ingredient Data Sheet
CAS 142-18-7Physical Properties
| Molecular Weight | 274.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.2🔬 PubChem |
| Boiling Point | 186 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 208 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.392💻 Calculated |
| SMILES | CCCCCCCCCCCC(=O)OCC(CO)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Functional Groups | esteralcoholether💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID5041275
Physical Properties
| Molecular Weight | 274.401 g/mol🔬 EPA CompTox |
| Density | 0.998 g/cm^3📊 OPERA |
| Boiling Point | 186 °C🔬 EPA CTX |
| Melting Point | 60.5 °C🔬 EPA CTX |
| Flash Point | 159.8 °C🔬 EPA CTX |
| Refractive Index | 1.467 Dimensionless📊 OPERA |
| Molar Volume | 275.007 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.161 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.036 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.161 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.99 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 36.73 cP📊 OPERA |
| Surface Tension | 35.654 dyn/cm📊 OPERA |
| Thermal Conductivity | 170.071 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 66.76 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 13 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 76.345 cm^3/mol📊 OPERA |
| Polarizability | 30.266 Å^3📊 OPERA |
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.
