1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde (CAS 52475-86-2) — Green Top/Heart Note Fragrance Ingredient
1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
CAS 52475-86-2
What Is 1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde?
This synthetic aldehyde is a high-impact fragrance ingredient used in modern perfumery. It’s found in niche and designer fragrances where it contributes a unique metallic-green character. Its powerful odor profile means it’s used in trace amounts to create cutting-edge scent profiles, often in avant-garde or futuristic compositions.
Safety Profile
USE WITH AWARENESSWhat Does 1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde Smell Like?
A razor-sharp aldehyde with intense metallic facets, reminiscent of crushed green stems and freshly cut rhubarb. Opens with piercing ozone-like top notes that evolve into a complex heart of wet concrete and chlorophyll. The drydown reveals a surprisingly clean, almost aquatic character with lingering mineralic undertones. Exceptionally diffusive – one drop can dominate a blend.
2D Molecular Structure
SMILES: CC(C)=CCCC1=CCC(C)(CC1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic aldehyde with a complex bicyclic structure. Produced through controlled oxidation of terpene precursors. The methyl groups and conjugated double bonds create exceptional odor potency. Molecular weight around 180 g/mol. Requires careful handling due to high reactivity – typically stabilized in dilute solutions or precursor forms for perfumery use.
Physical & Chemical Properties
| Molecular Weight | ~180 g/mol |
|---|---|
| Odor Threshold | Extremely low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Powerful modifier |
| Functional Fragrance | 0.001-0.01% | Up to 0.05% | Trace amounts only |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends.
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 future amendments due to structural alerts.
EU Allergen Declaration
Not listed in EU allergen regulations.
RIFM Assessment
Under review by RIFM due to structural similarity to known sensitizers.
Sustainability
Synthesized from petrochemical precursors. Energy-intensive production requires careful waste management. No known natural sources. Research ongoing for greener synthetic pathways.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 52475-86-2Physical Properties
| Molecular Weight | 206.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 271 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0603 mmHg @ 25°C📊 OPERA |
| Flash Point | 98.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0045💻 Calculated |
| log Kp (skin permeability) | -1.616💻 Calculated |
| SMILES | CC(=CCCC1=CCC(CC1)(C)C=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.4 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | aldehydealkene💻 RDKit |
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: DTXSID6052160
Physical Properties
| Molecular Weight | 206.329 g/mol🔬 EPA CompTox |
| Density | 0.927 g/cm^3📊 OPERA |
| Boiling Point | 271.567 °C📊 OPERA |
| Melting Point | 22.374 °C📊 OPERA |
| Flash Point | 129.125 °C📊 OPERA |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 219.754 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.69 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.261 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.261 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.25 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.022 mmHg📊 OPERA |
| Viscosity | 4.228 cP📊 OPERA |
| Surface Tension | 31.179 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.434 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 | 66.251 cm^3/mol📊 OPERA |
| Polarizability | 26.264 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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