6-sec-Butylquinoline (CAS 65442-31-1) — Woody Middle to base Note Fragrance Ingredient
6-sec-Butylquinoline
CAS 65442-31-1
What Is 6-sec-Butylquinoline?
6-sec-Butylquinoline is a synthetic aromatic compound used in perfumery to add leathery, earthy tones. You might encounter it in high-end leather fragrances or chypre compositions. This ingredient matters because it provides a sophisticated, animalic depth that’s hard to replicate naturally, making it valuable for creating complex modern accords.
Safety Profile
USE WITH AWARENESSWhat Does 6-sec-Butylquinoline Smell Like?
6-sec-Butylquinoline announces itself with a bold, phenolic leather punch reminiscent of well-worn saddles and antique books. The opening has a medicinal sharpness that evolves into a warm, tobacco-like heart with subtle earthy undertones. As it dries down, it reveals a sophisticated woody-mossy character with just a whisper of animalic musk, like the lingering scent in a vintage smoking jacket after the cigar has been extinguished.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the authentic birch-tar leather note that defines this iconic fragrance, blending with florals to create a luxurious, slightly smoky leather accord.
Used sparingly to enhance the complex leather bouquet, adding depth and longevity to this legendary masculine fragrance.
2D Molecular Structure
SMILES: CCC(C)C1=CC=C2N=CC=CC2=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
6-sec-Butylquinoline belongs to the quinoline family of heterocyclic aromatic compounds, characterized by a benzene ring fused to a pyridine ring. This synthetic molecule is typically produced through Skraup synthesis or Friedländer synthesis routes. The sec-butyl side chain at the 6-position contributes significantly to its odor profile, making it more leathery than simpler quinolines. The molecule’s planar structure and nitrogen lone pair contribute to its tenacious odor characteristics and good substantivity on skin.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Powerful leather modifier |
| Functional Fragrance | 0.05-0.2% | Up to 0.3% | Used in leather air fresheners |
Classic Accords
Tip: Always pre-dilute to 1% in ethanol before incorporating into blends to ensure even distribution.
Alternatives & Comparisons
A slightly less aggressive alternative with similar leathery characteristics but more floral undertones, useful when a softer leather note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards (as of 2023).
RIFM Assessment
RIFM has evaluated related quinoline compounds but no specific assessment for this isomer is available.
Sustainability
As a synthetic material, 6-sec-Butylquinoline has minimal environmental impact in production. Being highly potent, it requires very small quantities in formulations, reducing its carbon footprint compared to natural leather materials like birch tar which require extensive processing.
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Physicochemical Properties
DTXSID: DTXSID4052340
Physical Properties
| Molecular Weight | 185.27 g/mol🔬 EPA CompTox |
| Density | 1.01 g/cm^3🔬 EPA CTX |
| Boiling Point | 296.962 °C📊 OPERA |
| Melting Point | 46.565 °C📊 OPERA |
| Flash Point | 134.899 °C📊 OPERA |
| Refractive Index | 1.58 Dimensionless📊 OPERA |
| Molar Volume | 183.352 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.65 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.569 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.855 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 8.564 cP📊 OPERA |
| Surface Tension | 39.147 dyn/cm📊 OPERA |
| Thermal Conductivity | 125.945 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 | 2 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 61.004 cm^3/mol📊 OPERA |
| Polarizability | 24.184 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.
