trans-2-tert-Butylcyclohexan-1-ol (CAS 5448-22-6) — Woody Middle to base Note Fragrance Ingredient
trans-2-tert-Butylcyclohexan-1-ol
CAS 5448-22-6
What Is trans-2-tert-Butylcyclohexan-1-ol?
Trans-2-tert-butylcyclohexan-1-ol is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances, contributing to fresh, woody, and slightly musky scent profiles. This molecule matters because it offers perfumers a stable, long-lasting alternative to natural woody-musky materials. Its synthetic nature ensures consistent quality and availability while avoiding sustainability concerns associated with harvesting natural ingredients.
Safety Profile
USE WITH AWARENESSWhat Does trans-2-tert-Butylcyclohexan-1-ol Smell Like?
Trans-2-tert-butylcyclohexan-1-ol unfolds with a crisp, dry woodiness reminiscent of freshly planed cedar, layered with a subtle muskiness that evokes sun-warmed skin. The initial impression carries a faint camphoraceous coolness that quickly settles into a smooth, rounded heart. As it dries down, it reveals an ambery warmth with whispers of clean linen. The scent profile maintains remarkable tenacity, evolving slowly over hours while retaining its structural integrity without becoming cloying or overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-musky backbone that enhances the sandalwood illusion while providing diffusion and longevity. Contributes to the fragrance’s signature ‘skin-but-better’ drydown.
Provides subtle woody reinforcement to the flinty mineral accord, adding depth without competing with the prominent citrus-woody signature.
2D Molecular Structure
SMILES: CC(C)(C)[C@@H]1CCCC[C@H]1O
Chemistry, Properties & Perfumer Guide
The Chemistry
Trans-2-tert-butylcyclohexan-1-ol belongs to the cyclohexanol class of fragrance compounds. The tert-butyl group at the 2-position creates significant steric hindrance, influencing both its odor characteristics and chemical stability. Industrially produced via hydrogenation of corresponding ketones or through Grignard reactions, its synthesis allows precise control over stereochemistry. The trans configuration is odor-active while the cis form exhibits different scent properties, demonstrating how molecular geometry dramatically affects olfactory perception.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~220 °C (estimated) |
| Density | ~0.92 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody-musky modifier |
| Personal Care | 0.5-1.5% | Up to 2% | Longevity enhancer |
Classic Accords
Tip: Use with citrus top notes to prevent the woody character from becoming too heavy in the opening.
Alternatives & Comparisons
Offers similar woody character with more pronounced cedar aspects. Preferred when needing greater projection in woody bases.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. Compliant under IFRA standards for all fragrance categories at typical usage levels.
GHS Classification
RIFM Assessment
RIFM has reviewed available data and found no significant safety concerns at current industry usage levels.
Sustainability
As a synthetic material, trans-2-tert-butylcyclohexan-1-ol avoids deforestation concerns associated with natural woody materials. Its production requires petrochemical feedstocks, but modern synthesis routes optimize atom economy. The material’s longevity in formulations reduces reapplication frequency in end products.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 5448-22-6Physical Properties
| Molecular Weight | 156.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 213 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0331 mmHg @ 25°C📊 OPERA |
| Flash Point | 79.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0029💻 Calculated |
| log Kp (skin permeability) | -1.523💻 Calculated |
| SMILES | CC(C)(C)C1CCCCC1O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
| Functional Groups | alcohol💻 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: DTXSID0052201
Physical Properties
| Molecular Weight | 156.269 g/mol🔬 EPA CompTox |
| Density | 0.904 g/cm^3📊 OPERA |
| Boiling Point | 208.547 °C📊 OPERA |
| Melting Point | 33.184 °C📊 OPERA |
| Flash Point | 82.133 °C📊 OPERA |
| Refractive Index | 1.471 Dimensionless📊 OPERA |
| Molar Volume | 169.687 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.095 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.095 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.095 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.71 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.056 mmHg📊 OPERA |
| Viscosity | 10.394 cP📊 OPERA |
| Surface Tension | 32.059 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.435 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.456 cm^3/mol📊 OPERA |
| Polarizability | 18.813 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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