Octanoic acid, octadecyl ester (CAS 18312-31-7) — Woody Base Note Fragrance Ingredient
Octanoic acid, octadecyl ester
CAS 18312-31-7
What Is Octanoic acid, octadecyl ester?
Octanoic acid, octadecyl ester is a synthetic compound used in fragrance formulations. It is typically encountered in fine fragrances and personal care products as a subtle modifier or fixative. This ingredient helps balance compositions and extend the longevity of other fragrance notes, making it valuable in creating lasting scent experiences.
Safety Profile
GENERALLY SAFEWhat Does Octanoic acid, octadecyl ester Smell Like?
Octanoic acid, octadecyl ester has a faint, waxy odor with subtle fatty undertones. It acts as a quiet background note, blending seamlessly into compositions without overpowering other ingredients. Its dry-down is smooth and persistent, contributing to the overall longevity of a fragrance. The scent is neutral enough to complement both floral and woody accords without introducing significant character of its own.
2D Molecular Structure
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Octanoic acid, octadecyl ester is a synthetic ester formed from octanoic acid and octadecanol. It belongs to the class of fatty acid esters, which are commonly used in fragrance formulations for their mild scents and fixative properties. The compound is typically synthesized through esterification reactions under controlled conditions. Its long carbon chain contributes to its stability and low volatility.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fixative and modifier |
| Personal Care | 0.5-2% | Up to 3% | Subtle base note |
Classic Accords
Tip: Use as a subtle fixative to enhance longevity without altering the main accord.
Alternatives & Comparisons
A shorter-chain alternative with similar properties but slightly higher volatility.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to this ingredient.
RIFM Assessment
No specific RIFM assessment found for this ester.
Sustainability
As a synthetic compound, octanoic acid, octadecyl ester is produced through controlled chemical processes with consistent quality. Its environmental impact is relatively low due to efficient synthesis methods and minimal waste generation. Being petroleum-derived, its sustainability depends on the source of raw materials and manufacturing practices.
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Physicochemical Properties
DTXSID: DTXSID5051816
Physical Properties
| Molecular Weight | 396.7 g/mol🔬 EPA CompTox |
| Density | 0.83 g/cm^3📊 OPERA |
| Boiling Point | 424.536 °C📊 OPERA |
| Melting Point | 41.873 °C📊 OPERA |
| Flash Point | 216.354 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 461.193 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 10.725 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 10.725 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 10.725 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 11.71 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 14.726 cP📊 OPERA |
| Surface Tension | 30.727 dyn/cm📊 OPERA |
| Thermal Conductivity | 155.228 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 23 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 124.278 cm^3/mol📊 OPERA |
| Polarizability | 49.268 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.
