2-(3-Phenylpropyl)pyridine (CAS 2110-18-1) — Spicy Middle to base Note Fragrance Ingredient
2-(3-Phenylpropyl)pyridine
CAS 2110-18-1
What Is 2-(3-Phenylpropyl)pyridine?
2-(3-Phenylpropyl)pyridine is a synthetic aroma chemical used in perfumery. It contributes warm, spicy, and slightly animalic nuances to fragrances. This ingredient is typically found in niche perfumes and oriental compositions. Its unique profile helps create depth and longevity in modern fragrance designs.
Safety Profile
USE WITH AWARENESSWhat Does 2-(3-Phenylpropyl)pyridine Smell Like?
A complex interplay of warm spices and subtle animalic undertones. Opens with a peppery pyridine sharpness that quickly mellows into a velvety phenylpropyl warmth. The dry-down reveals a persistent skin-like muskiness reminiscent of sun-warmed leather. Acts as a bridge between spice accords and amber bases, adding dimensionality without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the cinnamon and saffron notes while adding a modern synthetic leather facet to this masculine gourmand.
Provides a subtle animalic counterpoint to the sweet tobacco and vanilla, preventing the composition from becoming cloying.
2D Molecular Structure
SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=N1
Chemistry, Properties & Perfumer Guide
The Chemistry
An aromatic pyridine derivative with a phenylpropyl side chain. Synthesized through Friedel-Crafts alkylation or Grignard reactions. The pyridine ring contributes electron density while the flexible side chain allows conformational variability. No chiral centers present. Typically produced as a racemic mixture for fragrance use.
Physical & Chemical Properties
| Molecular Weight | 183.26 g/mol |
|---|---|
| Boiling Point | ~300°C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as a modifier for spice accords |
| Home Fragrance | 0.05-0.2% | Up to 0.5% | Adds warmth to candle formulations |
Classic Accords
Tip: Use sparingly to add animalic depth without dominating the composition.
Alternatives & Comparisons
When a more pronounced roasted, nutty character is desired instead of the animalic warmth.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Monitor for future updates due to structural alerts.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
GHS Classification
RIFM Assessment
Under review by RIFM. Preliminary data suggests moderate skin sensitization potential.
Sustainability
Synthetic production minimizes agricultural impact. Energy-intensive synthesis process offset by high potency at low usage levels. No known ecological toxicity at current usage rates.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2110-18-1Physical Properties
| Molecular Weight | 197.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 142 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.631💻 Calculated |
| SMILES | C1=CC=C(C=C1)CCCC2=CC=CC=N2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | earthygreenherbal• leffingwell |
| Functional Groups | aromatic💻 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: DTXSID7042356
Physical Properties
| Molecular Weight | 197.281 g/mol🔬 EPA CompTox |
| Density | 1.015 g/cm^3🔬 EPA CTX |
| Boiling Point | 306.485 °C📊 OPERA |
| Melting Point | 26.344 °C📊 OPERA |
| Flash Point | 126.708 °C📊 OPERA |
| Refractive Index | 1.568 Dimensionless📊 OPERA |
| Molar Volume | 192.683 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.59 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.176 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.435 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.46 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 6.782 cP📊 OPERA |
| Surface Tension | 38.615 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.93 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 12.89 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 63.014 cm^3/mol📊 OPERA |
| Polarizability | 24.981 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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