1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one (CAS 56973-87-6) — Woody Heart to base Note Fragrance Ingredient
1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one
CAS 56973-87-6
What Is 1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one?
1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one is a synthetic fragrance ingredient used to add fresh, woody, and slightly fruity nuances to perfumes. It’s commonly found in modern floral and woody fragrances. This molecule helps create a sense of lightness and modernity in compositions, often used to bridge floral heart notes with woody bases.
Safety Profile
USE WITH AWARENESSWhat Does 1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one Smell Like?
This synthetic molecule opens with a crisp, almost metallic freshness reminiscent of crushed green stems, quickly revealing a transparent woody character like freshly sanded cedar. As it evolves, a surprising fruity undertone emerges – imagine the ghost of a green apple peel floating over dry vetiver roots. The dry-down is clean and persistent, leaving a subtle musky-woody trail with just a hint of warm amber. It behaves like a chameleon, amplifying citrus in the top, supporting florals in the heart, and anchoring woody bases without overwhelming them.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-fruity bridge between citrus top notes and cedar base, providing transparency and diffusion.
Provides a modern twist to the classic fougère structure with its fresh woody character.
2D Molecular Structure
SMILES: CC1(C)CCCC(C1)C(=O)CCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one belongs to the cyclohexyl ketone family. Its structure combines a rigid cyclohexyl ring with a flexible pentenyl side chain, creating unique conformational dynamics. The molecule is typically synthesized through Friedel-Crafts acylation of dimethylcyclohexane derivatives. The presence of the double bond in the side chain contributes to its fresh, green character while the ketone group provides stability and diffusion.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Strength | Medium to strong |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Modern woody accords |
| Functional Fragrances | 0.5-1.5% | Up to 2% | Fabric softeners, detergents |
Classic Accords
Tip: Use with ionones to create airy woody-floral effects or with citrus to extend freshness.
Alternatives & Comparisons
Offers similar fresh woody character but with more pronounced green apple top notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. No specific usage limits established.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production can be carefully controlled with minimal environmental impact. The manufacturing process avoids the use of heavy metals or harsh reagents typical of some traditional fragrance syntheses. Being petroleum-derived, its carbon footprint is higher than some biobased alternatives but lower than materials requiring extensive agricultural inputs.
Explore 1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID2052231
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.885 g/cm^3📊 OPERA |
| Boiling Point | 248.625 °C📊 OPERA |
| Melting Point | 13.382 °C📊 OPERA |
| Flash Point | 101.976 °C📊 OPERA |
| Refractive Index | 1.454 Dimensionless📊 OPERA |
| Molar Volume | 220.732 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.064 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.064 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.064 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.31 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.024 mmHg📊 OPERA |
| Viscosity | 3.501 cP📊 OPERA |
| Surface Tension | 29.314 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.471 mW/(m*K)📊 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 | 59.821 cm^3/mol📊 OPERA |
| Polarizability | 23.715 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.
![Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate (CAS 67924-13-4) — Sweet Middle to base Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/methyl-2-2-1-1-768x439.webp)
