3-[cis-4-(2-methylpropyl)cyclohexyl]propanal (CAS 1315250-65-7) — Woody Middle Note Fragrance Ingredient
3-[cis-4-(2-methylpropyl)cyclohexyl]propanal
CAS 1315250-65-7
What Is 3-[cis-4-(2-methylpropyl)cyclohexyl]propanal?
3-[cis-4-(2-methylpropyl)cyclohexyl]propanal is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances. This molecule contributes to fresh, woody, and slightly floral scent profiles, often enhancing longevity in fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 3-[cis-4-(2-methylpropyl)cyclohexyl]propanal Smell Like?
This synthetic aldehyde presents a complex olfactory profile with initial crisp freshness reminiscent of citrus peel, evolving into a heart of clean woody notes with subtle floral undertones. The dry-down reveals a smooth, slightly musky base that adds depth without heaviness. Its character is modern and versatile, bridging fresh top notes with warmer base accords.
2D Molecular Structure
SMILES: CC(C)C[C@@H]1CC[C@H](CCC=O)CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
3-[cis-4-(2-methylpropyl)cyclohexyl]propanal belongs to the class of cyclohexyl propanal derivatives, specifically designed for perfumery applications. Its synthesis typically involves hydrogenation of corresponding unsaturated precursors followed by oxidation. The cis-configuration at the 4-position contributes to its specific odor characteristics. As a synthetic molecule, it offers consistent quality and odor profile compared to natural alternatives.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Modern woody-floral modifier |
| Personal Care | 0.5-1.5% | Up to 2% | Adds freshness and longevity |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base notes for enhanced diffusion.
Alternatives & Comparisons
Simpler structure with similar woody-aldehydic character but less complexity and longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Limited safety assessment available. Considered safe at current usage levels.
Sustainability
As a synthetic ingredient, this molecule offers consistent quality without natural sourcing constraints. Its production can be optimized for minimal environmental impact through green chemistry approaches. The synthetic origin eliminates concerns about overharvesting of natural resources.
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Physicochemical Properties
DTXSID: DTXSID50889286
Physical Properties
| Molecular Weight | 196.334 g/mol🔬 EPA CompTox |
| Density | 0.856 g/cm^3📊 OPERA |
| Boiling Point | 258.305 °C📊 OPERA |
| Melting Point | 11.656 °C📊 OPERA |
| Flash Point | 112.384 °C📊 OPERA |
| Refractive Index | 1.441 Dimensionless📊 OPERA |
| Molar Volume | 228.813 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.679 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.679 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.679 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.35 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.029 mmHg📊 OPERA |
| Viscosity | 7.888 cP📊 OPERA |
| Surface Tension | 29.424 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.532 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 60.368 cm^3/mol📊 OPERA |
| Polarizability | 23.932 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.
