3-Cyclohexene-1-carboxaldehyde, 1-ethenyl- (CAS 1049017-63-1) — Green Top to middle Note Fragrance Ingredient
3-Cyclohexene-1-carboxaldehyde, 1-ethenyl-
CAS 1049017-63-1
What Is 3-Cyclohexene-1-carboxaldehyde, 1-ethenyl-?
3-Cyclohexene-1-carboxaldehyde, 1-ethenyl- is a synthetic fragrance ingredient used in modern perfumery. It contributes fresh, green, and slightly floral nuances to compositions. Consumers encounter this molecule in fine fragrances, personal care products, and household cleaners where a crisp, natural character is desired. This aldehyde is valued for its ability to add vibrancy and diffusion to fragrance formulas while maintaining good stability.
Safety Profile
GENERALLY SAFEWhat Does 3-Cyclohexene-1-carboxaldehyde, 1-ethenyl- Smell Like?
This synthetic aldehyde opens with a burst of crisp greenness reminiscent of crushed stems and dewy leaves. As it evolves, a subtle floralcy emerges – imagine the first hint of morning blossoms touched with a clean, slightly metallic edge. The drydown reveals a whisper of warm woodiness, like sunlight filtering through a greenhouse. Its medium projection creates an aura of cultivated freshness without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here as a green-modifier to amplify citrus top notes while adding structural freshness to the floral heart. Its stability helps maintain clarity in the scent pyramid.
2D Molecular Structure
SMILES: C=CC1(CCC=CC1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic aldehyde belongs to the cyclohexene carboxaldehyde class. The vinyl group at position 1 introduces additional reactivity and influences the molecule’s odor characteristics. Industrial synthesis typically involves controlled oxidation of corresponding alcohols or selective hydrogenation of aromatic precursors. The double bond in the cyclohexene ring contributes to both the freshness and stability of the material.
Physical & Chemical Properties
| Boiling Point | Not publicly available |
|---|---|
| Density | Not publicly available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds green freshness |
| Functional Fragrances | 0.5-2% | Up to 3% | Provides clean character |
Classic Accords
Tip: Use with citrus top notes to enhance freshness or with white florals to add green dimensionality.
Alternatives & Comparisons
Offers similar green character with enhanced fruity nuances. Preferred when more sweetness is desired in the composition.
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 as aldehydes are frequently reviewed.
RIFM Assessment
Not yet evaluated by RIFM. Considered safe at current industry usage levels.
Sustainability
As a synthetic material, this ingredient avoids agricultural impacts but requires petrochemical feedstocks. Modern manufacturing processes aim to minimize energy use and byproducts. The molecule’s efficiency in formulations helps reduce overall material requirements.
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References
- IFRA Standards Library IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1049017-63-1Physical Properties
| Molecular Weight | 136.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.8🔬 PubChem |
| Boiling Point | 204 °C🔬 EPA CompTox |
| Vapor Pressure | 2.3988 mmHg @ 25°C📊 OPERA |
| Flash Point | 59.9 °C🔬 EPA CompTox |
| Involatility Index | 0.2215💻 Calculated |
| log Kp (skin permeability) | -2.253💻 Calculated |
| SMILES | C=CC1(CCC=CC1)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralgreen• leffingwell |
| 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: DTXSID10889262
Physical Properties
| Molecular Weight | 136.194 g/mol🔬 EPA CompTox |
| Density | 1.013 g/cm^3📊 OPERA |
| Boiling Point | 191.989 °C📊 OPERA |
| Melting Point | -7.303 °C📊 OPERA |
| Flash Point | 67.809 °C📊 OPERA |
| Refractive Index | 1.628 Dimensionless📊 OPERA |
| Molar Volume | 125.613 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.407 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.407 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.407 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.31 Log10 unitless📊 OPERA |
| Water Solubility | 0.018 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.197 mmHg📊 OPERA |
| Viscosity | 1.454 cP📊 OPERA |
| Surface Tension | 45.16 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.899 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 44.569 cm^3/mol📊 OPERA |
| Polarizability | 17.668 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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