Alpha-Phellandrene (CAS 99-83-2) — Citrus Top Note Fragrance Ingredient
Alpha-Phellandrene
CAS 99-83-2
What Is Alpha-Phellandrene?
Alpha-Phellandrene is a naturally occurring terpene found in many essential oils like eucalyptus, ginger, and lavender. You’ll encounter it in citrusy, herbal fragrances and some household cleaners. This molecule contributes a fresh, peppery-citrus character that perfumers use to add brightness and complexity to fragrances.
Safety Profile
USE WITH AWARENESSWhat Does Alpha-Phellandrene Smell Like?
Alpha-Phellandrene bursts with a vibrant citrus-pepper duality – imagine biting into a tangerine while crushing fresh peppercorns. The opening is sharply green, like snapping pine needles, evolving into a warmer, woody-herbal heart. As it dries down, it leaves a subtle resinous trail reminiscent of frankincense, though much lighter. The overall effect is energizing and outdoorsy, with a dry, almost metallic edge that prevents it from becoming too sweet.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrus top notes with its peppery facets, creating a more complex lemon verbena effect that transitions smoothly into the herbal heart.
Alpha-Phellandrene enhances the aromatic fougère structure, adding crispness to the lavender and citrus accord while contributing to the fragrance’s distinctive ‘outdoorsy’ character.
2D Molecular Structure
SMILES: CC(C)C1CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Alpha-Phellandrene is a monocyclic monoterpene with the molecular formula C10H16. It exists naturally as two stereoisomers: (+)-α-phellandrene and (-)-α-phellandrene, which often occur together in plants. Industrially, it’s produced through fractional distillation of essential oils or via chemical synthesis from pinene. The molecule’s reactivity makes it valuable as a precursor in fragrance chemistry, particularly for creating more complex terpenoid structures.
Physical & Chemical Properties
| Boiling Point | 171-172 °C |
|---|---|
| Density | 0.841 g/cm³ |
| Refractive Index | 1.470-1.478 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as citrus enhancer |
| Functional Fragrance | 1-3% | Up to 8% | Adds freshness to cleaners |
Classic Accords
Tip: Stabilize with antioxidants to prevent oxidation that can lead to off-notes.
Alternatives & Comparisons
For a less peppery, more straightforward citrus character without the herbal complexity.
When a softer, more minty-citrus effect is desired compared to alpha-phellandrene’s sharper profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions currently apply to alpha-phellandrene (as of Amendment 49).
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009 Annex III.
GHS Classification
RIFM Assessment
RIFM has evaluated alpha-phellandrene and found it safe at current usage levels in fragrance applications.
Sustainability
Alpha-Phellandrene is primarily sourced as a byproduct of essential oil production, making its extraction relatively sustainable. Synthetic production exists but is less common due to the availability of natural sources. The compound is biodegradable under normal environmental conditions.
Explore Alpha-Phellandrene
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439832275
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 99-83-2Physical Properties
| Molecular Weight | 136.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 172 °C🔬 EPA CompTox |
| Vapor Pressure | 1.4 mmHg @ 25°C📊 OPERA |
| Flash Point | 47.2 °C🔬 EPA CompTox |
| Involatility Index | 0.1293💻 Calculated |
| log Kp (skin permeability) | -1.259💻 Calculated |
| SMILES | CC1=CCC(C=C1)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfreshmintyspicywoody• leffingwell |
| Functional Groups | alkene💻 RDKit |
| “When absolutely pure, the material has a pleasant, fresh-citrusy and peppery-woody odor with a discretely minty note. Poor tenacity. Commercial grades are often contaminated with Cymene or other Terpenes”📖 Arctander | |
| a-Phellandrene has a pleasant, fresh, citrus, peppery odor with a discrete mint note. This compound is also reported as having a minty, herbaceous odor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The title material finds some use in flavor compositions, mainly in Citrus and spice complexes to give "lift" to essential oils of those types, etc.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.16 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2856⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID4047593
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.85 g/cm^3🔬 EPA CTX |
| Boiling Point | 172 °C🔬 EPA CTX |
| Melting Point | 249 °C🔬 EPA CTX |
| Flash Point | 47.275 °C🔬 EPA CTX |
| Refractive Index | 1.469 Dimensionless📊 OPERA |
| Molar Volume | 163.135 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.077 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.077 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.077 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.037 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.059 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.402 mmHg🔬 EPA CTX |
| Viscosity | 0.969 cP📊 OPERA |
| Surface Tension | 25.245 dyn/cm📊 OPERA |
| Thermal Conductivity | 125.005 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.446 cm^3/mol📊 OPERA |
| Polarizability | 18.016 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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