3,3,5-Trimethylcyclohexaneacetic acid (CAS 3213-73-8) — Woody Base Note Fragrance Ingredient
3,3,5-Trimethylcyclohexaneacetic acid
CAS 3213-73-8
What Is 3,3,5-Trimethylcyclohexaneacetic acid?
3,3,5-Trimethylcyclohexaneacetic acid is a synthetic fragrance ingredient used in modern perfumery. It contributes woody, musky, and slightly floral nuances to fragrances. You’ll encounter it in various personal care products and fine fragrances, though it’s rarely listed by name. This molecule matters because it helps create sophisticated, long-lasting scent profiles that mimic natural aromas without relying on plant extracts. Its synthetic nature allows for consistent quality and sustainable production compared to some natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does 3,3,5-Trimethylcyclohexaneacetic acid Smell Like?
This synthetic molecule opens with a crisp, woody character reminiscent of freshly cut cedar planks, layered with a subtle camphoraceous coolness. As it evolves, the heart reveals a musky undertone that blends with faint floral whispers akin to violet petals. The dry-down is remarkably persistent, leaving a clean, slightly sweet woody-amber trail that lingers close to the skin. The overall effect is sophisticated and versatile – neither too sharp nor too sweet, making it an excellent blender for modern fragrance constructions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-musky backbone that enhances the fragrance’s modern freshness while providing exceptional longevity.
Contributes to the sophisticated woody-amber dry-down that makes this fragrance universally appealing.
Adds a contemporary woody dimension to the classic vetiver-cedar accord.
Provides subtle musky-woody depth to balance the aquatic freshness.
Used in small amounts to enhance the woody base notes without overpowering the fruity top.
2D Molecular Structure
SMILES: CC1CC(CC(O)=O)CC(C)(C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3,3,5-Trimethylcyclohexaneacetic acid belongs to the cycloaliphatic carboxylic acid class. The molecule features a cyclohexane ring with three methyl groups at positions 3, 3, and 5, with an acetic acid side chain. Industrially, it’s synthesized through hydrogenation of corresponding aromatic precursors followed by carboxylation. The stereochemistry of the methyl groups creates distinct odor characteristics – the trans isomers typically exhibit cleaner woody notes while cis isomers contribute more musky aspects. This chiral complexity allows perfumers to select specific isomeric mixtures for desired olfactory effects.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Base note fixative |
| Body Care | 0.5-1% | Up to 2% | Longevity enhancer |
| Laundry | 0.1-0.5% | Up to 1% | Fabric substantivity |
| Home Fragrance | 0.5-2% | Up to 3% | Diffusion modifier |
Classic Accords
Tip: Use at 0.5-1% in top-heavy compositions to add subtle base support without muddying brighter notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply (as of Amendment 49).
GHS Classification
RIFM Assessment
RIFM has evaluated this material and found it safe for current use levels in fragrance applications.
Sustainability
As a synthetic material, 3,3,5-Trimethylcyclohexaneacetic acid offers sustainability advantages over some natural alternatives by avoiding agricultural land use and seasonal variability. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. The material’s potency means relatively small quantities are needed in formulations, reducing overall environmental impact compared to less powerful ingredients.
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References
- IFRA Standards Library (2023). Amendment 49. IFRA
- Bickers et al. (2011). Safety assessment of fragrance materials. PMID 21500034
- Sell, C. (2006). The Chemistry of Fragrances. DOI:10.1039/9781847555408
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3213-73-8Physical Properties
| Molecular Weight | 184.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 275 °C🔬 EPA CompTox |
| Vapor Pressure | 0.001 mmHg @ 25°C📊 OPERA |
| Flash Point | 125.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.41💻 Calculated |
| SMILES | CC1CC(CC(C1)(C)C)CC(=O)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
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: DTXSID70863124
Physical Properties
| Molecular Weight | 184.279 g/mol🔬 EPA CompTox |
| Density | 0.955 g/cm^3📊 OPERA |
| Boiling Point | 265.556 °C📊 OPERA |
| Melting Point | 50.625 °C📊 OPERA |
| Flash Point | 123.389 °C📊 OPERA |
| Refractive Index | 1.446 Dimensionless📊 OPERA |
| Molar Volume | 197.057 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.5 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.899 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.153 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.71 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 10.345 cP📊 OPERA |
| Surface Tension | 31.461 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.045 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 52.591 cm^3/mol📊 OPERA |
| Polarizability | 20.849 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.
