1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one (CAS 56973-85-4) — Woody Middle to Base Note Fragrance Ingredient
1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
CAS 56973-85-4
What Is 1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one?
1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one is a synthetic fragrance molecule used to create woody, ambery, and slightly fruity notes in perfumes. You’ll encounter it in fine fragrances and personal care products where a warm, complex base is desired. Its unique structure allows it to bridge between fresh top notes and deep base notes, making it valuable for perfumers seeking smooth transitions in modern compositions.
Safety Profile
USE WITH AWARENESSWhat Does 1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one Smell Like?
Opens with a diffusive woody-green character reminiscent of freshly split cedar, quickly revealing a radiant ambery core with nuances of dried apricot skin. As it dries down, the molecule develops a velvety suede-like texture with subtle tobacco undertones. The dryout maintains excellent tenacity, leaving a sophisticated trail that blends seamlessly with musks and vanillic materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the signature ‘blond woods’ effect, providing both radiance and depth that complements the iris-vanilla accord.
Contributes to the creamy sandalwood illusion, adding dimension to the woody heart without overpowering the natural materials.
2D Molecular Structure
SMILES: CC1(C)CCC=C(C1)C(=O)CCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
This unsaturated cyclic ketone belongs to the class of modified ionones, featuring a cyclohexenyl ring with geminal dimethyl groups that provide steric hindrance. The pentenone side chain introduces unsaturation that influences both reactivity and odor characteristics. Industrially produced via acid-catalyzed condensation of appropriate precursors, its synthesis requires careful control to avoid unwanted byproducts that could impart harsh tones.
Physical & Chemical Properties
| Molecular Weight | 192.30 g/mol |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| XLogP | 3.2 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 8% | Provides warmth and diffusion in oriental compositions |
| Personal Care | 0.5-2% | Up to 3% | Used sparingly for sophisticated woody nuances |
Classic Accords
Tip: Combine with ambroxan for enhanced diffusion without losing elegance.
Alternatives & Comparisons
When more transparency is needed, though lacks the fruity-amber dimension of our subject molecule.
For stronger ambery fixation, but requires careful balancing to avoid overpowering compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, though recommended usage levels should be respected due to potential sensitization.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic material, production can be optimized for atom economy and reduced solvent use. Unlike some natural woods, it doesn’t contribute to deforestation concerns. Future green chemistry approaches may improve its environmental profile further.
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References
- Frater et al. (1998). Structure-Odor Relationships in Woody Ambers. Perfumer & Flavorist.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 56973-85-4Physical Properties
| Molecular Weight | 192.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 265.9 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0101 mmHg @ 25°C📊 OPERA |
| Flash Point | 118 °C🔬 EPA CompTox |
| Involatility Index | 0.0008💻 Calculated |
| log Kp (skin permeability) | -1.317💻 Calculated |
| SMILES | CC1(CCC=C(C1)C(=O)CCC=C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ketonealkene💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
Trade Names
| Dynascone®(Firmenich), Dynamor (Aromor).📖 Surburg |
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: DTXSID7052230
Physical Properties
| Molecular Weight | 192.302 g/mol🔬 EPA CompTox |
| Density | 0.925 g/cm^3🔬 EPA CTX |
| Boiling Point | 265.9 °C🔬 EPA CTX |
| Melting Point | 17.247 °C📊 OPERA |
| Flash Point | 118 °C🔬 EPA CTX |
| Refractive Index | 1.472 Dimensionless📊 OPERA |
| Molar Volume | 212.018 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.05 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.013 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.013 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg🔬 EPA CTX |
| Surface Tension | 31.385 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.421 cm^3/mol📊 OPERA |
| Polarizability | 23.556 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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