2-tert-Butylcyclohexanol (CAS 13491-79-7) — Woody Base Note Fragrance Ingredient
2-tert-Butylcyclohexanol
CAS 13491-79-7
What Is 2-tert-Butylcyclohexanol?
2-tert-Butylcyclohexanol is a synthetic fragrance ingredient used in perfumes and personal care products to add woody, ambery notes. It’s often found in masculine fragrances and colognes. This molecule matters because it provides a long-lasting, clean woody character that helps anchor floral and citrus top notes, making fragrances more complex and durable on the skin.
Safety Profile
GENERALLY SAFEWhat Does 2-tert-Butylcyclohexanol Smell Like?
2-tert-Butylcyclohexanol presents a clean, woody aroma with subtle ambery undertones. It starts with a slightly sharp, almost camphoraceous opening that quickly settles into a smooth, dry woodiness reminiscent of sanded cedar. The dry-down reveals a faintly sweet, musky character that lingers close to the skin. Unlike some woody materials, it avoids excessive dryness or sawdust qualities, instead offering a refined, slightly powdery wood note that blends exceptionally well with citrus and floral materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody backbone to support the fresh citrus accord, providing longevity without overwhelming the composition.
Works alongside sandalwood and vetiver to create a clean, modern woody foundation for the citrus and incense notes.
2D Molecular Structure
SMILES: CC(C)(C)C1CCCCC1O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-tert-Butylcyclohexanol belongs to the class of cyclohexanol derivatives, specifically a tertiary alcohol with a bulky substituent. This structure gives it excellent stability and low volatility. Industrially, it’s synthesized through hydrogenation of corresponding ketone precursors or via Grignard reactions. The tert-butyl group creates significant steric hindrance, influencing both its odor characteristics and chemical reactivity. The molecule exists as cis/trans isomers, with the trans form generally being more odor-active due to less steric compression of the hydroxyl group.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 220-230°C (estimated) |
| Density | ~0.9 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody foundation |
| Personal Care | 0.5-2% | Up to 3% | Subtle woody note |
Classic Accords
Tip: Use with citrus top notes to prevent the woody character from becoming too dominant in the opening.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found, but structurally similar compounds have good safety profiles.
Sustainability
As a synthetic material, 2-tert-Butylcyclohexanol has minimal environmental impact from sourcing. Production typically uses petrochemical feedstocks, but the molecule’s potency means very small quantities are needed in formulations, reducing overall carbon footprint compared to some natural alternatives.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527616324
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID4044799
Physical Properties
| Molecular Weight | 156.269 g/mol🔬 EPA CompTox |
| Density | 0.906 g/cm^3🔬 EPA CTX |
| Boiling Point | 211 °C🔬 EPA CTX |
| Melting Point | 45.6 °C🔬 EPA CTX |
| Flash Point | 81 °C🔬 EPA CTX |
| 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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