sec-Butylquinoline (CAS 68198-80-1) — Woody Heart Note Fragrance Ingredient
sec-Butylquinoline
CAS 68198-80-1
What Is sec-Butylquinoline?
sec-Butylquinoline is a synthetic compound used in perfumery to add leathery, tobacco-like nuances. It’s found in niche fragrances aiming for vintage or rugged sophistication. This ingredient matters because it provides a key olfactory bridge between modern synthetics and classic animalic notes, allowing perfumers to create complex accords without using restricted materials.
Safety Profile
USE WITH AWARENESSWhat Does sec-Butylquinoline Smell Like?
A sharp, assertive opening of green-black tobacco leaves and freshly tanned leather evolves into a dry, woody heart with hints of burnt rubber and ink. The dry-down reveals a surprisingly smooth, almost amber-like warmth that lingers close to the skin. Like a well-worn leather jacket left in a cedar chest, it balances roughness with refinement.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the chypre’s leathery brutality, creating a scent that was famously described as ‘the perfume equivalent of a switchblade’.
Provides a contrasting modern edge to the frankincense-heavy composition, like black leather gloves at a royal coronation.
2D Molecular Structure
SMILES: CC(C)CC1=CC2=C(C=C1)N=CC=C2
Chemistry, Properties & Perfumer Guide
The Chemistry
A quinoline derivative with a sec-butyl substituent. This synthetic molecule belongs to the heterocyclic aromatic compounds class, valued for its ability to mimic natural leather/tobacco notes without animal-derived materials. Industrially produced via Skraup synthesis or condensation reactions, its specific stereochemistry influences odor profile.
Physical & Chemical Properties
| Boiling Point | Data not available |
|---|---|
| Density | Data not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Leather Accord | 0.1-0.5% | Up to 1% | Anchor note for synthetic leather |
| Tobacco Accord | 0.05-0.2% | Up to 0.5% | Adds dry smokiness |
Classic Accords
Tip: Always pre-dilute to 1-10% in ethanol before blending due to intense odor impact.
Alternatives & Comparisons
Similar profile but slightly more floral; used when a softer leather effect is desired.
For modern leather accords needing ambroxan-like smoothness without the tobacco roughness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. Listed as safe for use at recommended levels.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM has assessed this material as safe for current fragrance use levels.
Sustainability
As a synthetic material, sec-butylquinoline avoids animal welfare concerns associated with traditional leather notes. However, its production requires petrochemical feedstocks, making life cycle assessment important for environmentally conscious perfumers.
Explore sec-Butylquinoline
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Published by the author.
- IFRA Standards Library Amendment 49
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 68198-80-1Physical Properties
| Molecular Weight | 185.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| log Kp (skin permeability) | -1.132💻 Calculated |
| SMILES | CC(C)CC1=CC2=C(C=C1)N=CC=C2🔬 PubChem |
Odor & Flavor
| Primary Descriptors | muskywoody• 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: DTXSID5052886
Physical Properties
| Molecular Weight | 185.26 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 3.8 Log10 unitless🔬 PubChem |
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 | 60.29 cm^3/mol💻 Computed |
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.
