trans-2-tert-Butylcyclohexyl acetate (CAS 20298-70-8) — Woody Middle to Base Note Fragrance Ingredient
trans-2-tert-Butylcyclohexyl acetate
CAS 20298-70-8
What Is trans-2-tert-Butylcyclohexyl acetate?
Trans-2-tert-Butylcyclohexyl acetate is a synthetic fragrance ingredient used to add woody, amber-like notes to perfumes. It’s commonly found in fine fragrances and personal care products. This molecule is valued for its stability and ability to enhance other scent components, making it a versatile tool for perfumers. Its subtle yet long-lasting character helps create sophisticated fragrance profiles.
Safety Profile
GENERALLY SAFEWhat Does trans-2-tert-Butylcyclohexyl acetate Smell Like?
Trans-2-tert-Butylcyclohexyl acetate offers a refined woody aroma with subtle amber undertones. Its scent evolves from a crisp initial impression to a warm, slightly powdery dry-down. The fragrance is reminiscent of polished wood in a sunlit library, with a clean, almost mineral-like quality that prevents it from becoming cloying. Over time, it reveals a faintly musky character that blends seamlessly with other notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the woody accord, providing a clean, modern edge to the signature sandalwood base.
Contributes to the mineral-woody character, complementing the flint and vetiver notes.
2D Molecular Structure
SMILES: CC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Trans-2-tert-Butylcyclohexyl acetate is a synthetic ester derived from cyclohexanol. The tert-butyl group at the 2-position creates significant steric hindrance, influencing both its odor profile and chemical stability. This structural feature makes it resistant to hydrolysis compared to simpler acetates. The trans configuration is preferred in perfumery for its cleaner odor profile. Industrial synthesis typically involves acetylation of the corresponding alcohol precursor.
Physical & Chemical Properties
| Boiling Point | Not readily available |
|---|---|
| Density | Not readily available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Personal Care | 0.5-2% | Up to 3% | Provides subtle sophistication |
Classic Accords
Tip: Use to add woody warmth without overwhelming floral or citrus notes.
Alternatives & Comparisons
Offers similar woody character but with more pronounced green facets when a fresher profile is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
Considered safe for use in current applications by RIFM.
Sustainability
As a synthetic material, production can be optimized for minimal environmental impact. The starting materials are petroleum-derived, but efficient synthesis routes help reduce waste. Unlike some natural alternatives, its production doesn’t require agricultural land or compete with food crops.
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References
- PubChem: trans-2-tert-Butylcyclohexyl acetate PubChem CID
- IFRA Standards Library IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID001014824
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.
