Caryophyllene acetate (CAS 57082-24-3) — Woody Middle Note Fragrance Ingredient
Caryophyllene acetate
CAS 57082-24-3
What Is Caryophyllene acetate?
Caryophyllene acetate is a synthetic fragrance ingredient often used to add woody, spicy depth to perfumes and scented products. You’ll find it in aftershaves, colognes, and home fragrances where a warm, masculine character is desired. This molecule matters because it helps create the illusion of natural complexity in modern perfumery, serving as a versatile building block that bridges herbal top notes with richer base accords.
Safety Profile
GENERALLY SAFEWhat Does Caryophyllene acetate Smell Like?
Caryophyllene acetate unfolds with an initial burst of peppery warmth reminiscent of cracked black pepper and sun-baked pine needles. The heart reveals a sophisticated interplay between dry cedar shavings and the faintest whisper of clove-studded oranges. As it dries down, it leaves a comforting trail akin to antique wooden furniture polished with beeswax, with just enough sweetness to prevent the woody character from becoming austere. Unlike its beta-caryophyllene precursor, the acetate modification lends a smoother, more diffusive quality that integrates seamlessly into modern fragrance architectures.
2D Molecular Structure
SMILES: CC(=O)O[C@]12CCC[C@](C)(C1)CC[C@@H]1[C@@H]2CC1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Caryophyllene acetate belongs to the sesquiterpene ester class, synthesized via acetylation of β-caryophyllene. The process typically involves reacting β-caryophyllene with acetic anhydride in the presence of an acid catalyst. This modification significantly alters the odor profile while retaining the original molecule’s structural complexity. The acetate group increases volatility compared to the parent hydrocarbon, making it more useful in fragrance applications where diffusion is desired.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody-spice modifier |
| Home Fragrance | 2-4% | Up to 7% | Adds depth to woody accords |
Classic Accords
Tip: Use to add diffusion and warmth to woody bases without overwhelming floral heart notes.
Alternatives & Comparisons
For a brighter, more camphoraceous woody note with similar diffusion properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards (as of 50th Amendment).
RIFM Assessment
Considered safe for use in fragrances based on structural analogs and limited testing.
Sustainability
As a synthetic material, caryophyllene acetate offers consistent quality without harvesting natural resources. Production typically uses β-caryophyllene derived from clove oil as a starting material, but modern synthesis routes may utilize renewable feedstocks. The acetate modification improves biodegradability compared to some fully synthetic woody materials.
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Ingredient Data Sheet
CAS 57082-24-3Physical Properties
| Molecular Weight | 264.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.7🔬 PubChem |
| Boiling Point | 328 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 138.3 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.976💻 Calculated |
| SMILES | CC(=O)OC12CCCC(C1)(CCC3C2CC3(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 12.1 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esterether💻 RDKit |
| “Mild fruity-woody odor, fresh-green, sap-like, quite tenacious.”📖 Arctander | |
Flavor Notes (Arctander)
| “Used as a fixative in flavor compositions.”📖 Arctander |
Regulatory Status
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID2052233
Physical Properties
| Molecular Weight | 264.409 g/mol🔬 EPA CompTox |
| Density | 1.01 g/cm^3🔬 EPA CTX |
| Boiling Point | 303.809 °C📊 OPERA |
| Melting Point | 83.345 °C📊 OPERA |
| Flash Point | 138.3 °C🔬 EPA CTX |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 257.981 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.807 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.807 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.807 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.41 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Surface Tension | 36.197 dyn/cm📊 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 76.468 cm^3/mol📊 OPERA |
| Polarizability | 30.314 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.
