beta-Patchoulene (CAS 514-51-2) — Woody Base Note Fragrance Ingredient
beta-Patchoulene
CAS 514-51-2
What Is beta-Patchoulene?
beta-Patchoulene is a synthetic fragrance ingredient used in perfumery to add earthy, woody notes. It’s often found in modern colognes and woody-oriental fragrances. This molecule matters because it mimics natural patchouli’s complexity without the intensity, making it versatile for contemporary scents that require subtle earthiness.
Safety Profile
GENERALLY SAFEWhat Does beta-Patchoulene Smell Like?
beta-Patchoulene opens with a dry, camphoraceous edge that quickly settles into a warm, slightly sweet woody core. Imagine damp forest soil under morning sun, with facets resembling aged cedar chests and distant campfire smoke. The dry-down reveals subtle leathery nuances, behaving like a muted version of natural patchouli without its characteristic medicinal sharpness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create an industrial interpretation of patchouli, where beta-Patchoulene’s cleaner woody profile balances the birch tar’s smokiness.
2D Molecular Structure
SMILES: C[C@H]1CCC2=C1C[C@H]1CC[C@]2(C)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
beta-Patchoulene is a sesquiterpene hydrocarbon, structurally related to natural patchouli oil components but with simpler molecular geometry. Synthetic production typically involves cyclization of farnesene derivatives or selective hydrogenation of patchouli oil fractions. The synthetic route allows for precise control over stereochemistry, avoiding the variability of natural sources.
Physical & Chemical Properties
| Boiling Point | Not well characterized |
|---|---|
| Density | Estimated ~0.91 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Provides woody foundation |
| Home Fragrance | 1-3% | Up to 8% | Enhances longevity |
Classic Accords
Tip: Use with ionones to soften the woody character.
Alternatives & Comparisons
When natural complexity is desired, though it’s stronger and more polarizing than the synthetic beta-Patchoulene.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Not yet evaluated by RIFM due to limited commercial use history.
Sustainability
As a synthetic material, beta-Patchoulene avoids the agricultural impacts of natural patchouli cultivation. However, its production requires petrochemical feedstocks. Future green chemistry routes may improve sustainability.
Explore beta-Patchoulene
Browse essential oils and aroma compounds.
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References
- PubChem Beta-Patchoulene CID not assigned
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7052153
Physical Properties
| Molecular Weight | 204.357 g/mol🔬 EPA CompTox |
| Density | 0.93 g/cm^3📊 OPERA |
| Boiling Point | 259.378 °C📊 OPERA |
| Melting Point | 120.006 °C📊 OPERA |
| Flash Point | 98.273 °C📊 OPERA |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 214.78 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.718 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.718 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.718 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.9 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.01 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.013 mmHg📊 OPERA |
| Surface Tension | 32.037 dyn/cm📊 OPERA |
| Thermal Conductivity | 108.325 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.793 cm^3/mol📊 OPERA |
| Polarizability | 25.686 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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