Cyclohexanemethanol, 4-(acetyloxy)-a,a,4-trimethyl-, acetate (CAS 20009-20-5) — Woody Middle Note Fragrance Ingredient
Cyclohexanemethanol, 4-(acetyloxy)-a,a,4-trimethyl-, acetate
CAS 20009-20-5
What Is Cyclohexanemethanol, 4-(acetyloxy)-a,a,4-trimethyl-, acetate?
This synthetic fragrance ingredient is used in modern perfumery to create fresh, woody, and slightly floral effects. It’s often found in body care products and fine fragrances where subtle complexity is desired. While not widely recognized by name, its scent profile helps create sophisticated blends that feel contemporary and refined.
Safety Profile
USE WITH AWARENESSWhat Does Cyclohexanemethanol, 4-(acetyloxy)-a,a,4-trimethyl-, acetate Smell Like?
A crisp yet rounded aroma that unfolds with initial clean woody tones reminiscent of freshly sanded cedar. As it develops, subtle floral facets emerge – like the ghost of magnolia petals on a warm breeze. The dry-down reveals a sophisticated muskiness with faintly sweet, powdery undertones that linger close to the skin. Its character remains transparent throughout, making it an excellent blender that adds depth without overwhelming compositions.
2D Molecular Structure
SMILES: CC(=O)OC(C)(C)C1CCC(C)(CC1)OC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic musk derivative belongs to the cyclohexane methanol ester class. The molecular structure features multiple acetate groups that contribute to its volatility profile and fragrance characteristics. While not found in nature, its design mimics certain aspects of woody-floral natural compounds. Industrial synthesis typically involves catalytic hydrogenation and esterification steps starting from petrochemical precursors. The stereochemistry at the 4-position significantly impacts its olfactory properties.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 250-280 °C |
| Density | Approx. 1.0 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Background modifier |
| Body Care | 0.5-1.5% | Up to 2% | Provides subtle sophistication |
| Functional Products | 0.1-0.5% | Up to 1% | Masking agent |
Classic Accords
Tip: Use in trace amounts to add invisible depth to woody-floral compositions.
Alternatives & Comparisons
Similar woody-floral character but with brighter top notes and better diffusion at lower concentrations.
Woodier alternative that provides more pronounced cedar-like effects without the floral facets.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on Annex II of the IFRA Standards with no specific limitations.
RIFM Assessment
Limited safety assessment available. Recommended maximum dermal use level of 3.5% based on structural analogs.
Sustainability
As a fully synthetic material, this ingredient doesn’t rely on natural resource extraction. However, its petrochemical origin raises questions about carbon footprint. Future green chemistry approaches may enable more sustainable synthesis routes. Currently produced in specialized fragrance chemical facilities with standard industrial environmental controls.
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References
- IFRA Standards Library (2023). Annex II – Unrestricted Substances. IFRA Official
- Leffingwell & Associates (2021). Synthetic Musks Database. Leffingwell
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 20009-20-5Physical Properties
| Molecular Weight | 256.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.3🔬 PubChem |
| Boiling Point | 278 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0014 mmHg @ 25°C📊 OPERA |
| Flash Point | 134.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -2.631💻 Calculated |
| SMILES | CC(=O)OC1(CCC(CC1)C(C)(C)OC(=O)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esterether💻 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: DTXSID70864914
Physical Properties
| Molecular Weight | 256.342 g/mol🔬 EPA CompTox |
| Density | 1.002 g/cm^3📊 OPERA |
| Boiling Point | 286.388 °C📊 OPERA |
| Melting Point | -0.965 °C📊 OPERA |
| Flash Point | 128.383 °C📊 OPERA |
| Refractive Index | 1.463 Dimensionless📊 OPERA |
| Molar Volume | 248.84 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.749 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.749 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.749 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 5.437 cP📊 OPERA |
| Surface Tension | 32.339 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.781 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.53 cm^3/mol📊 OPERA |
| Polarizability | 27.167 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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