cis-2-tert-Butylcyclohexyl acetate (CAS 20298-69-5) — Woody Middle to base Note Fragrance Ingredient
cis-2-tert-Butylcyclohexyl acetate
CAS 20298-69-5
What Is cis-2-tert-Butylcyclohexyl acetate?
cis-2-tert-Butylcyclohexyl acetate is a synthetic fragrance ingredient used in perfumes and scented products to add a fresh, woody character. It’s often found in modern colognes and body care items. This molecule matters because it provides a clean, long-lasting scent that blends well with other notes, making it a versatile tool for perfumers to create balanced fragrances.
Safety Profile
GENERALLY SAFEWhat Does cis-2-tert-Butylcyclohexyl acetate Smell Like?
cis-2-tert-Butylcyclohexyl acetate opens with a crisp, slightly metallic freshness reminiscent of chilled stainless steel. The heart reveals a rounded woody character with subtle musky undertones, like polished oak in a sunlit room. As it dries down, it leaves a clean, slightly soapy trail with excellent tenacity. The overall effect is modern and unisex – neither overtly masculine nor feminine, but with a sophisticated urban edge that works equally well in fresh fougères and contemporary woody compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-modifier in the base, contributing to the fragrance’s polished, urban character without overpowering the citrus and incense notes.
Provides a clean, modern woody backbone that supports the citrus top notes and ginger heart in this fresh masculine.
Adds a crisp, contemporary edge to the aquatic base, enhancing the fragrance’s daytime versatility.
2D Molecular Structure
SMILES: CC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
cis-2-tert-Butylcyclohexyl acetate belongs to the cyclohexyl ester class of fragrance materials. The tert-butyl group at the 2-position creates significant steric hindrance, influencing both the odor characteristics and the molecule’s stability. Industrial synthesis typically involves the acetylation of cis-2-tert-butylcyclohexanol using acetic anhydride. The cis configuration is crucial for the desired olfactory profile, as the trans isomer exhibits markedly different scent characteristics.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 240-250 °C |
| Density | Estimated 0.92-0.95 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Woody-modifier in masculine scents |
| Body Care | 0.2-1% | 0.1-2% | Adds clean sophistication |
| Functional Fragrance | 0.1-0.5% | 0.05-1% | Long-lasting freshness |
Classic Accords
Tip: Use with citrus top notes to create a ‘lifted’ woody effect in fresh compositions.
Alternatives & Comparisons
For a greener, more herbal woody character with similar stability but different odor profile.
When a smoother, more rounded woody note is desired without the metallic freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests low risk profile at current usage levels.
Sustainability
As a synthetic material, cis-2-tert-Butylcyclohexyl acetate has minimal environmental impact in production compared to natural alternatives. The synthesis route is efficient with good atom economy, and the material’s stability contributes to fragrance longevity, reducing the need for reapplication. Being petroleum-derived, its sustainability depends on the energy sources used in production.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-30364-6
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2051845
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.923 g/cm^3📊 OPERA |
| Boiling Point | 225.544 °C📊 OPERA |
| Melting Point | 26.939 °C📊 OPERA |
| Flash Point | 87.848 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 213.127 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.419 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.419 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.419 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.072 mmHg📊 OPERA |
| Viscosity | 4.96 cP📊 OPERA |
| Surface Tension | 29.529 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.905 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.
