1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde (CAS 52474-60-9) — Green Top Note Fragrance Ingredient
1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
CAS 52474-60-9
What Is 1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde?
1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde is a synthetic fragrance ingredient used in perfumery for its unique olfactory properties. It is typically found in fine fragrances and personal care products. This aldehyde contributes to modern, avant-garde scent profiles, often used to add a fresh, green, slightly metallic edge to compositions.
Safety Profile
GENERALLY SAFEWhat Does 1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde Smell Like?
This aldehyde offers a crisp, green, slightly metallic aroma with a fresh, almost ozonic quality. The top note is sharp and penetrating, evolving into a heart that balances greenness with a subtle floral undertone. The dry-down reveals a clean, slightly woody character, making it versatile in modern perfumery.
2D Molecular Structure
SMILES: CC(C)=CCCC1=CCCC(C)(C1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde is a synthetic aldehyde used in perfumery. Its structure features a cyclohexene ring with a methyl group and a prenyl side chain, contributing to its fresh, green odor. It is typically synthesized via aldol condensation or oxidation routes, with careful control of stereochemistry to ensure olfactory purity.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fresh, green character |
| Personal Care | 0.5-2% | Up to 3% | Used for freshness |
Classic Accords
Tip: Use in small doses to add a fresh, green edge without overpowering the composition.
Alternatives & Comparisons
A floral-aldehyde alternative with less greenness and more floral warmth.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
RIFM safety assessment pending.
Sustainability
This synthetic ingredient is produced in controlled laboratory settings, minimizing environmental impact. Its production does not rely on natural resources, making it a sustainable choice for modern perfumery.
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References
- PubChem Compound Summary for 1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 52474-60-9Physical Properties
| Molecular Weight | 206.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 271 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0617 mmHg @ 25°C📊 OPERA |
| Flash Point | 98.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0046💻 Calculated |
| log Kp (skin permeability) | -1.616💻 Calculated |
| SMILES | CC(=CCCC1=CCCC(C1)(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 |
Trade Names
| Precyclemone B (IFF).📖 Surburg |
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: DTXSID20866266
Physical Properties
| Molecular Weight | 206.329 g/mol🔬 EPA CompTox |
| Density | 0.928 g/cm^3📊 OPERA |
| Boiling Point | 270.898 °C📊 OPERA |
| Melting Point | 22.605 °C📊 OPERA |
| Flash Point | 116.253 °C📊 OPERA |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 219.754 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.261 Log10 unitless📊 OPERA |
| 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 | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.023 mmHg📊 OPERA |
| Viscosity | 3.821 cP📊 OPERA |
| Surface Tension | 31.179 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.461 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.
