cis-4-tert-Butylcyclohexyl acetate (CAS 10411-92-4) — Woody Middle to base Note Fragrance Ingredient
cis-4-tert-Butylcyclohexyl acetate
CAS 10411-92-4
What Is cis-4-tert-Butylcyclohexyl acetate?
cis-4-tert-Butylcyclohexyl acetate is a synthetic fragrance ingredient commonly found in modern perfumes and personal care products. It contributes a clean, woody-musky character that blends well with other scent components. This molecule matters because it provides long-lasting freshness without being overpowering, making it a versatile building block in contemporary fragrance design.
Safety Profile
GENERALLY SAFEWhat Does cis-4-tert-Butylcyclohexyl acetate Smell Like?
A crisp, modern aroma with a distinctive woody-musky character. Opens with a clean, almost metallic freshness reminiscent of chilled stainless steel, evolving into a smooth heart reminiscent of freshly planed cedarwood with a subtle ambery undertone. The dry-down reveals a persistent skin-like muskiness that blends seamlessly with other materials, providing excellent diffusion and tenacity without dominating the composition.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-musky backbone that enhances the fresh aquatic character while providing excellent longevity.
Contributes to the crisp, water-like freshness with its clean woody-musky profile.
Provides subtle woody depth that supports the marine accord without competing with citrus top notes.
Used in the base to create a modern, clean musk effect that complements the citrus-green accord.
Adds contemporary freshness to the classic fougère structure.
2D Molecular Structure
SMILES: CC(=O)O[C@H]1CC[C@H](CC1)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
cis-4-tert-Butylcyclohexyl acetate belongs to the cyclohexyl ester class, specifically a tertiary butyl-substituted cyclohexyl acetate. The cis configuration is crucial for its odor profile. Synthesized through hydrogenation of corresponding aromatic precursors followed by acetylation, this material exemplifies how subtle structural changes (tertiary butyl position and esterification) dramatically alter odor characteristics compared to simpler cyclohexyl derivatives.
Physical & Chemical Properties
| Boiling Point | ~250 °C (estimated) |
|---|---|
| Density | ~0.92 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody-musky enhancer |
| Functional Fragrances | 0.5-3% | Up to 5% | Clean, long-lasting effect |
| Soaps | 0.1-1% | Up to 2% | Stable in alkaline conditions |
| Detergents | 0.05-0.5% | Up to 1% | Provides fabric substantivity |
Classic Accords
Tip: Use as a bridge between fresh top notes and deeper base materials for seamless transitions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Compliant under all current standards.
RIFM Assessment
Evaluated by RIFM with no significant safety concerns at typical usage levels.
Sustainability
As a synthetic material, production avoids agricultural land use. Typical synthesis routes from petrochemical precursors raise standard environmental considerations for synthetic organic chemistry, but its potency means relatively small quantities are required in formulations.
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References
- Bauer et al. (2001). Modern Woody Musks in Perfumery. Perfumer & Flavorist.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID70893643
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.922 g/cm^3📊 OPERA |
| Boiling Point | 226.863 °C📊 OPERA |
| Melting Point | -1.983 °C📊 OPERA |
| Flash Point | 91.533 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 213.127 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.629 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.629 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.629 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.052 mmHg📊 OPERA |
| Viscosity | 3.356 cP📊 OPERA |
| Surface Tension | 29.597 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.356 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.38 cm^3/mol📊 OPERA |
| Polarizability | 22.747 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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