4-tert-Butylcyclohexanol (CAS 98-52-2) — Woody Middle to base Note Fragrance Ingredient
4-tert-Butylcyclohexanol
CAS 98-52-2
What Is 4-tert-Butylcyclohexanol?
4-tert-Butylcyclohexanol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes a clean, woody aroma with subtle floral undertones. This molecule matters because it adds depth and longevity to fragrances while maintaining a fresh character. It’s often found in deodorants, soaps, and fabric softeners where its stable scent profile performs well.
Safety Profile
GENERALLY SAFEWhat Does 4-tert-Butylcyclohexanol Smell Like?
4-tert-Butylcyclohexanol presents a crisp, woody scent reminiscent of freshly planed cedar with a subtle floralcy akin to magnolia petals. The aroma evolves from an initial clean sharpness to a rounded, slightly sweet woodiness in the dry-down. Its character suggests polished wooden furniture in a sunlit room, with a faint soapy-clean undertone that makes it versatile for fresh fougères and modern woody florals. The molecule’s persistence allows it to serve as both a modifier and subtle base note in compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the flinty mineral character while providing woody depth that bridges citrus top notes to vetiver base.
Contributes to the clean woody-musky backbone that supports this aquatic classic’s freshness.
2D Molecular Structure
SMILES: CC(C)(C)C1CCC(O)CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
4-tert-Butylcyclohexanol is a monoterpene alcohol with a bulky tert-butyl group at the 4-position of its cyclohexane ring. This structure creates steric hindrance that slows evaporation, contributing to its persistence in fragrance. Industrially produced via hydrogenation of corresponding ketones or through Friedel-Crafts alkylation routes. The cis/trans isomerism affects odor properties, with the cis form generally being more floral and the trans more woody.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 0.89 g/cm³ |
| Flash Point | 82 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody modifier |
| Functional Fragrance | 0.5-3% | Up to 5% | Clean base note |
Classic Accords
Tip: Use to add woody persistence without overwhelming floral or citrus top notes.
Alternatives & Comparisons
More pronounced woody character with less floralcy, suitable when stronger wood notes are desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment.
RIFM Assessment
Evaluated by RIFM with no significant safety concerns at current usage levels.
Sustainability
Synthesized from petrochemical feedstocks, but requires relatively mild conditions compared to some fragrance synthetics. No known ecological toxicity concerns at usage levels. Not biodegradable but typically used in minimal concentrations.
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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 98-52-2Physical Properties
| Molecular Weight | 156.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 230.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.005 mmHg @ 25°C📊 OPERA |
| Flash Point | 105 °C🔬 EPA CompTox |
| Involatility Index | 0.0004💻 Calculated |
| log Kp (skin permeability) | -1.523💻 Calculated |
| SMILES | CC(C)(C)C1CCC(CC1)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | camphoraceousdryleatherwoody• 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: DTXSID5026623
Physical Properties
| Molecular Weight | 156.269 g/mol🔬 EPA CompTox |
| Density | 0.881 g/cm^3🔬 EPA CTX |
| Boiling Point | 226.635 °C🔬 EPA CTX |
| Melting Point | 67.132 °C🔬 EPA CTX |
| Flash Point | 105.033 °C🔬 EPA CTX |
| Refractive Index | 1.471 Dimensionless📊 OPERA |
| Molar Volume | 169.687 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 189.46 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.11 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.11 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.71 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.048 mmHg🔬 EPA CTX |
| Viscosity | 9.486 cP📊 OPERA |
| Surface Tension | 32.166 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.363 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.
