4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- (CAS 1449104-34-0) — Green Top to middle Note Fragrance Ingredient
4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)-
CAS 1449104-34-0
What Is 4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)-?
4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- is a synthetic fragrance ingredient primarily used in niche perfumery. It is not commonly encountered in everyday products but may appear in high-end fragrances. This molecule contributes unique olfactory characteristics that are valued by perfumers for creating distinctive scent profiles.
Safety Profile
USE WITH AWARENESSWhat Does 4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- Smell Like?
4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- offers a complex olfactory profile with green, slightly woody, and aldehydic nuances. The initial impression is sharp and fresh, evolving into a more rounded, slightly floral heart. The dry-down reveals a subtle balsamic character with lingering woody undertones. Its unique structure provides a modern twist on classic aldehydic notes.
2D Molecular Structure
SMILES: CC(C\C(C)=C\C1CCCCC1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- is a synthetic aldehyde with a complex structure featuring a cyclohexyl group and dimethyl substitution. Its synthesis typically involves multi-step organic reactions, including aldol condensation and selective hydrogenation. The (4E)- configuration contributes to its specific olfactory characteristics. As a relatively new compound in perfumery, its full potential is still being explored by fragrance chemists.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as a modifier |
| Functional Fragrance | 0.05-0.2% | Up to 0.5% | Limited use |
Classic Accords
Tip: Use sparingly to add complexity to green or woody accords.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently listed.
RIFM Assessment
No RIFM assessment currently available for this compound.
Sustainability
As a synthetic molecule, 4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)- is produced through controlled chemical processes. Its environmental impact depends on manufacturing practices and waste management. Being a relatively new compound, its biodegradability and ecotoxicity profile are not fully characterized.
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Physicochemical Properties
DTXSID: DTXSID201021053
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.905 g/cm^3🔬 EPA CTX |
| Boiling Point | 261.85 °C🔬 EPA CTX |
| Melting Point | 5.049 °C📊 OPERA |
| Flash Point | 115.9 °C🔬 EPA CTX |
| Refractive Index | 1.514 Dimensionless📊 OPERA |
| Molar Volume | 205.864 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.38 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.255 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.255 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.67 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg🔬 EPA CTX |
| Viscosity | 4.995 cP📊 OPERA |
| Surface Tension | 30.876 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.329 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 | 61.936 cm^3/mol📊 OPERA |
| Polarizability | 24.553 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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