Abietyl acetate (CAS 54200-50-9) — Woody Base Note Fragrance Ingredient
Abietyl acetate
CAS 54200-50-9
What Is Abietyl acetate?
Abietyl acetate is a synthetic fragrance ingredient derived from rosin acids. It’s primarily used in industrial fragrances and functional products like soaps and detergents. This compound contributes to woody, resinous scent profiles that add depth and longevity to fragrance compositions. While not common in fine perfumery, it plays a role in creating cost-effective base notes for mass-market products.
Safety Profile
USE WITH AWARENESSWhat Does Abietyl acetate Smell Like?
Abietyl acetate presents a dry, woody character with subtle resinous undertones reminiscent of aged pine wood. The odor profile is linear rather than evolving, maintaining a consistent medium-strength presence throughout. It lacks the sharpness of fresh pine notes but carries a slightly sweet, almost amber-like warmth. In blends, it behaves like a quiet fixative, adding subtle woody texture without dominating the composition.
2D Molecular Structure
SMILES: [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@](C)(COC(C)=O)CCC[C@]21C)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Abietyl acetate is an ester formed by the acetylation of abietic acid, a resin acid found in pine rosin. The synthesis typically involves reacting abietic acid with acetic anhydride in the presence of a catalyst. As a semi-synthetic derivative, it lacks the complex mixture of terpenoids found in natural pine-derived materials. The compound’s rigid tricyclic structure contributes to its low volatility and tenacious odor characteristics.
Physical & Chemical Properties
| Appearance | Viscous liquid to semi-solid |
|---|---|
| Color | Pale yellow to amber |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrances | 0.5-2% | Up to 5% | Woody base note enhancer |
| Soaps/Detergents | 0.1-1% | Up to 3% | Cost-effective woody fixative |
Classic Accords
Tip: Use as a subtle woody bridge between synthetic musks and dry amber materials.
Alternatives & Comparisons
The parent compound with sharper pine character but less stability in formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General guidelines for rosin derivatives apply.
RIFM Assessment
No specific RIFM evaluation found. Considered under general rosin acid derivatives safety profile.
Sustainability
As a semi-synthetic derived from pine rosin, abietyl acetate represents a renewable resource-based material. However, its industrial production may involve chemical processes with environmental impacts. Responsible sourcing of pine rosin is crucial to ensure sustainable forestry practices in raw material production.
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Ingredient Data Sheet
CAS 54200-50-9Physical Properties
| Molecular Weight | 330.5 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.4🔬 PubChem |
| Boiling Point | 380 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 117.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.882💻 Calculated |
| SMILES | CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)COC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 17.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheralkene💻 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: DTXSID40904391
Physical Properties
| Molecular Weight | 330.512 g/mol🔬 EPA CompTox |
| Density | 1 g/cm^3📊 OPERA |
| Boiling Point | 378.101 °C📊 OPERA |
| Melting Point | 59.207 °C📊 OPERA |
| Flash Point | 148.722 °C📊 OPERA |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 325.696 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.763 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.763 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.763 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.95 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 |
| Surface Tension | 35.153 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.687 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 98.955 cm^3/mol📊 OPERA |
| Polarizability | 39.229 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.
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