2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde (CAS 432-25-7) — Green Top to heart Note Fragrance Ingredient
2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde
CAS 432-25-7
What Is 2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde?
2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde is a synthetic fragrance compound. It is not commonly encountered in everyday products but may appear in niche perfumes. This ingredient contributes unique olfactory characteristics, often used to add depth and complexity to fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde Smell Like?
This aldehyde offers a complex olfactory profile, blending fresh, green, and slightly woody nuances. It evolves from a sharp, citrus-tinged top note to a heart of herbal freshness, settling into a subtle woody base. The dry-down reveals a clean, slightly powdery character, making it versatile in modern perfumery.
2D Molecular Structure
SMILES: CC1=C(C=O)C(C)(C)CCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde is a synthetic aldehyde derived from cyclohexene. It belongs to the class of unsaturated aldehydes, known for their reactivity and distinct olfactory properties. The compound is typically synthesized through oxidation of the corresponding alcohol or via Diels-Alder reactions. Its structure allows for moderate stability in formulations.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds freshness and complexity |
| Functional Fragrance | 0.5-2% | Up to 5% | Used for subtle green notes |
Classic Accords
Tip: Use in trace amounts to avoid overpowering the blend.
Alternatives & Comparisons
Offers a more floral and powdery profile, suitable for softer fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic compound, its environmental impact is tied to industrial production processes. Sustainable sourcing depends on the manufacturer’s practices. No known natural sources exist.
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Ingredient Data Sheet
CAS 432-25-7Physical Properties
| Molecular Weight | 152.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 62 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.925💻 Calculated |
| SMILES | CC1=C(C(CCC1)(C)C)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruitygrassygreenhaymintysweet• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.0193 ppm📖 van Gemert |
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: DTXSID7047142
Physical Properties
| Molecular Weight | 152.237 g/mol🔬 EPA CompTox |
| Density | 0.937 g/cm^3📊 OPERA |
| Boiling Point | 218.135 °C📊 OPERA |
| Melting Point | 28.86 °C📊 OPERA |
| Flash Point | 71.324 °C📊 OPERA |
| Refractive Index | 1.508 Dimensionless📊 OPERA |
| Molar Volume | 160.715 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.754 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.754 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.754 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.01 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.362 mmHg📊 OPERA |
| Viscosity | 1.929 cP📊 OPERA |
| Surface Tension | 33.375 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.169 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.905 cm^3/mol📊 OPERA |
| Polarizability | 18.991 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.
