1-(2-tert.-Butyl cyclohexyloxy)-2-butanol (CAS 139504-68-0) — Woody Heart Note Fragrance Ingredient
1-(2-tert.-Butyl cyclohexyloxy)-2-butanol
CAS 139504-68-0
What Is 1-(2-tert.-Butyl cyclohexyloxy)-2-butanol?
1-(2-tert.-Butyl cyclohexyloxy)-2-butanol is a synthetic fragrance ingredient used in modern perfumery. It is not commonly found in nature but is engineered to provide specific olfactory effects. This compound is valued for its ability to enhance and modify fragrance compositions, particularly in creating long-lasting and complex scent profiles.
Safety Profile
GENERALLY SAFEWhat Does 1-(2-tert.-Butyl cyclohexyloxy)-2-butanol Smell Like?
This synthetic molecule offers a clean, slightly woody, and floral aroma with a subtle sweetness. It evolves from a fresh top note to a more stable, lingering heart note, providing a smooth and balanced dry-down. Its versatility makes it a valuable tool for perfumers looking to add depth and longevity to their creations.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modifier to enhance the longevity and complexity of the fragrance, providing a clean and woody undertone.
Adds a subtle floral sweetness and woody depth, balancing the fresh and earthy notes.
2D Molecular Structure
SMILES: CCC(O)COC1CCCCC1C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(2-tert.-Butyl cyclohexyloxy)-2-butanol is a synthetic alcohol derivative. It is designed to provide specific olfactory properties, with a structure that includes a cyclohexyl ring and a butanol chain. Its synthesis involves controlled chemical reactions to achieve the desired purity and olfactory characteristics.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Functional Fragrance | 0.5-2% | Up to 5% | Provides clean, woody notes |
Classic Accords
Tip: Use in small amounts to enhance longevity without overpowering the composition.
Alternatives & Comparisons
A natural alternative with floral and woody notes, suitable for more natural formulations.
Provides similar woody and enhancing properties with excellent blending capabilities.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Limited safety assessment data available; use with caution.
Sustainability
As a synthetic ingredient, its production can be controlled to minimize environmental impact. However, the lack of natural sourcing means it does not contribute to biodiversity.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 139504-68-0Physical Properties
| Molecular Weight | 228.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 290 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0353 mmHg @ 25°C📊 OPERA |
| Flash Point | 132 °C🔬 EPA CompTox |
| Involatility Index | 0.0025💻 Calculated |
| log Kp (skin permeability) | -1.395💻 Calculated |
| SMILES | CCC(COC1CCCCC1C(C)(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• leffingwell |
| Functional Groups | alcoholether💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
Trade Names
| Amber Core®(Kao).📖 Surburg |
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: DTXSID00869896
Physical Properties
| Molecular Weight | 228.376 g/mol🔬 EPA CompTox |
| Density | 0.934 g/cm^3🔬 EPA CTX |
| Boiling Point | 277.182 °C📊 OPERA |
| Melting Point | 29.123 °C📊 OPERA |
| Flash Point | 132 °C🔬 EPA CTX |
| Refractive Index | 1.463 Dimensionless📊 OPERA |
| Molar Volume | 246.913 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.148 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.608 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.118 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.2 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.046 mmHg🔬 EPA CTX |
| Viscosity | 16.806 cP📊 OPERA |
| Surface Tension | 30.995 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.23 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.039 cm^3/mol📊 OPERA |
| Polarizability | 26.973 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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