Pyridine, 3-(2,2-dimethylpropyl)- (CAS 90145-47-4) — Woody Base to middle Note Fragrance Ingredient
Pyridine, 3-(2,2-dimethylpropyl)-
CAS 90145-47-4
What Is Pyridine, 3-(2,2-dimethylpropyl)-?
Pyridine, 3-(2,2-dimethylpropyl)- is a synthetic aroma chemical used in niche fragrances to add woody, earthy accents. It’s encountered in modern perfumery where bold, unconventional notes are desired. This ingredient matters because it helps perfumers create unique, avant-garde scent profiles that stand out from traditional compositions.
Safety Profile
USE WITH AWARENESSWhat Does Pyridine, 3-(2,2-dimethylpropyl)- Smell Like?
This synthetic molecule delivers a complex olfactory profile – an initial sharp, almost metallic edge quickly gives way to a dense, woody heart with hints of dry tobacco and aged paper. As it dries down, it reveals subtle animalic undertones reminiscent of well-worn leather. The overall effect is sophisticated yet challenging, like the scent of a rare book in a cedar-lined study.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the dark, inky vetiver core with its woody-phenolic character, creating depth and modernity in this minimalist composition.
Contributes smoky, charred wood facets that complement the frankincense and myrrh, enhancing the fragrance’s meditative quality.
2D Molecular Structure
SMILES: CC(C)(C)CC1=CN=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Pyridine, 3-(2,2-dimethylpropyl)- belongs to the alkylpyridine class of nitrogen-containing heterocycles. These compounds are typically synthesized through condensation reactions or by alkylation of pyridine derivatives. The 2,2-dimethylpropyl (neopentyl) side chain confers exceptional stability to the molecule while influencing its hydrophobic character and odor properties.
Physical & Chemical Properties
| Appearance | Clear to pale yellow liquid |
|---|---|
| Odor Strength | Medium to high |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds woody complexity |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Used sparingly for nuance |
Classic Accords
Tip: Use with ionones to soften the sharp edges while maintaining projection.
Alternatives & Comparisons
Offers similar woody-tobacco character but with less density, useful when a lighter effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this material.
RIFM Assessment
Not currently evaluated by RIFM. Recommended for professional use only.
Sustainability
As a synthetic material, this compound is produced through controlled chemical processes with minimal environmental impact compared to natural alternatives. Its efficient use in formulations contributes to sustainable fragrance design through longevity and potency.
Explore Pyridine, 3-(2,2-dimethylpropyl)-
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 90145-47-4Physical Properties
| Molecular Weight | 149.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.8🔬 PubChem |
| Boiling Point | 200 °C🔬 EPA CompTox |
| Vapor Pressure | 1.2023 mmHg @ 25°C📊 OPERA |
| Flash Point | 70.2 °C🔬 EPA CompTox |
| Involatility Index | 0.1061💻 Calculated |
| log Kp (skin permeability) | -1.622💻 Calculated |
| SMILES | CC(C)(C)CC1=CN=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• 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: DTXSID3051410
Physical Properties
| Molecular Weight | 149.237 g/mol🔬 EPA CompTox |
| Density | 0.917 g/cm^3📊 OPERA |
| Boiling Point | 202.747 °C📊 OPERA |
| Melting Point | 12.767 °C📊 OPERA |
| Flash Point | 77.249 °C📊 OPERA |
| Refractive Index | 1.49 Dimensionless📊 OPERA |
| Molar Volume | 165.043 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.9 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.01 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.823 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.87 Log10 unitless📊 OPERA |
| Water Solubility | 0.065 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.548 mmHg📊 OPERA |
| Viscosity | 2.218 cP📊 OPERA |
| Surface Tension | 31.485 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.471 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 47.758 cm^3/mol📊 OPERA |
| Polarizability | 18.933 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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