3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde (CAS 51414-25-6) — Floral Heart to base Note Fragrance Ingredient
3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CAS 51414-25-6
What Is 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is a synthetic fragrance ingredient used to create floral and woody notes in perfumes. It’s found in fine fragrances and personal care products. This molecule is valued for its ability to enhance floral accords while adding a subtle woody complexity, making it versatile in modern perfumery.
Safety Profile
USE WITH AWARENESSWhat Does 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde Smell Like?
This aldehyde delivers a delicate floral-woody character with a fresh, slightly green undertone. The top note has a crisp, almost ozonic quality that evolves into a soft floral heart reminiscent of lily-of-the-valley. The dry-down reveals a subtle woody-musky base that lingers close to the skin. Its behavior is linear yet nuanced, making it excellent for creating transparent floral effects.
2D Molecular Structure
SMILES: CC(C)(O)CCCC1=CCCC(C1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic aldehyde belongs to the cyclohexene carbaldehyde class. It’s typically produced through Diels-Alder reactions followed by selective oxidation. The molecule’s conformation allows for both floral and woody olfactory effects due to its balanced hydrophilic/hydrophobic properties. The hydroxy-methylpentyl side chain contributes to its diffusion and substantivity.
Physical & Chemical Properties
| Molecular Weight | 224.3 g/mol |
|---|---|
| Boiling Point | Estimated 300°C |
| XLogP | Estimated 3.2 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral-woody modifier |
| Personal Care | 0.5-1% | Up to 2% | Scent stabilizer |
Classic Accords
Tip: Use with ionones to enhance floralcy without overwhelming the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Monitor for sensitization potential.
RIFM Assessment
Under review by RIFM for full safety assessment.
Sustainability
As a synthetic material, production can be optimized for minimal waste. The molecule’s efficiency allows for lower usage rates compared to some natural alternatives.
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References
- PubChem Compound Summary CID N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2052152
Physical Properties
| Molecular Weight | 210.317 g/mol🔬 EPA CompTox |
| Density | 0.979 g/cm^3📊 OPERA |
| Boiling Point | 294.885 °C📊 OPERA |
| Melting Point | 16.986 °C📊 OPERA |
| Flash Point | 128.828 °C📊 OPERA |
| Refractive Index | 1.528 Dimensionless📊 OPERA |
| Molar Volume | 205.469 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.905 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.905 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.795 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.3 Log10 unitless📊 OPERA |
| Water Solubility | 0.01 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 15.506 cP📊 OPERA |
| Surface Tension | 36.699 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.329 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 63.238 cm^3/mol📊 OPERA |
| Polarizability | 25.069 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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