(-)-(R)-.alpha.-Phellandrene (CAS 4221-98-1) — Citrus Top Note Fragrance Ingredient
(-)-(R)-.alpha.-Phellandrene
CAS 4221-98-1
What Is (-)-(R)-.alpha.-Phellandrene?
(-)-(R)-α-Phellandrene is a naturally occurring terpene found in essential oils like eucalyptus and ginger. It’s used in fragrances to add fresh, citrusy, and slightly woody notes. This ingredient matters because it contributes to the complexity of natural scents and is valued in aromatherapy for its uplifting properties.
Safety Profile
GENERALLY SAFEWhat Does (-)-(R)-.alpha.-Phellandrene Smell Like?
(-)-(R)-α-Phellandrene offers a bright, fresh aroma with dominant citrus and minty facets, reminiscent of peeled oranges and crushed eucalyptus leaves. The scent evolves from a sharp, peppery top note to a smoother, slightly woody base. Its dry-down is clean and slightly herbaceous, leaving a subtle green trail.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its refreshing and invigorating citrus-woody profile, enhancing the fragrance’s natural vitality.
2D Molecular Structure
SMILES: CC(C)[C@H]1CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
(-)-(R)-α-Phellandrene is a monoterpene with a molecular formula C10H16. It is a chiral molecule, with the (R)-enantiomer being the more common natural form. It is typically isolated from essential oils or synthesized via isomerization of other terpenes. Its structure contributes to its volatility and fresh scent profile.
Physical & Chemical Properties
| Boiling Point | 171-172 °C |
|---|---|
| Density | 0.841 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds freshness and lift |
| Functional Fragrance | 0.5-3% | Up to 5% | Used in cleaning products for its clean scent |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM has assessed this ingredient as safe for use in current practices.
Sustainability
Sourced from sustainable eucalyptus plantations or synthesized from renewable terpene feedstocks. Considered environmentally friendly due to its natural origin and biodegradability.
Explore (-)-(R)-.alpha.-Phellandrene
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References
- PubChem: α-Phellandrene CID 11142
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 4221-98-1Physical Properties
| Molecular Weight | 136.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 177.5 °C🔬 EPA CompTox |
| Vapor Pressure | 1.7626 mmHg @ 25°C📊 OPERA |
| Flash Point | 45.5 °C🔬 EPA CompTox |
| Involatility Index | 0.1628💻 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 | citrusfreshspicy• leffingwell |
| Functional Groups | alkene💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.2156 ppm (n=2)📖 van Gemert |
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: DTXSID3047053
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.842 g/cm^3🔬 EPA CTX |
| Boiling Point | 177.5 °C🔬 EPA CTX |
| Melting Point | 249 °C🔬 EPA CTX |
| Flash Point | 45.25 °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 | 0.047 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.074 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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