1-Cyclohexene-1-propanal, 4,4-dimethyl- (CAS 850997-10-3) — Green Top to middle Note Fragrance Ingredient
1-Cyclohexene-1-propanal, 4,4-dimethyl-
CAS 850997-10-3
What Is 1-Cyclohexene-1-propanal, 4,4-dimethyl-?
1-Cyclohexene-1-propanal, 4,4-dimethyl- is a synthetic fragrance ingredient used in modern perfumery to create unique, fresh, and slightly green accords. It is often found in fine fragrances and personal care products, contributing to their complex scent profiles. This molecule matters because it offers perfumers a versatile tool for crafting contemporary, clean, and slightly woody-green nuances that are hard to achieve with natural ingredients alone.
Safety Profile
USE WITH AWARENESSWhat Does 1-Cyclohexene-1-propanal, 4,4-dimethyl- Smell Like?
1-Cyclohexene-1-propanal, 4,4-dimethyl- presents a fresh, green, and slightly woody aroma with subtle citrus undertones. Its top note is crisp and slightly aldehydic, evolving into a heart that balances green freshness with a soft, woody backbone. The dry-down reveals a clean, slightly balsamic character, making it useful for modern fougère and chypre accords. Its odor profile is reminiscent of crushed green leaves with a whisper of citrus peel, offering a contemporary alternative to traditional green notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a key green-modifier to create a cutting-edge fougère accord, blending freshness with woody depth.
Provides a crisp, contemporary green note that contrasts with synthetic musks for an avant-garde effect.
Enhances the green, leafy aspect of the fragrance while adding a subtle woody undertone.
2D Molecular Structure
SMILES: CC1(C)CCC(CCC=O)=CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Cyclohexene-1-propanal, 4,4-dimethyl- is a synthetic aldehyde with a cyclohexene backbone. Its structure features a propanal side chain and dimethyl substitution, which contribute to its unique odor profile. Synthesis typically involves oxidation of corresponding alcohols or controlled aldol condensation reactions. The molecule’s rigidity from the cyclohexene ring enhances its stability in formulations, while the aldehyde group provides reactivity for scent modulation.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds green freshness |
| Functional Fragrances | 0.1-1% | Up to 2% | Clean, modern accents |
Classic Accords
Tip: Use in trace amounts to enhance green freshness without overwhelming the composition.
Alternatives & Comparisons
Offers a softer, more floral green character when a less intense green note is desired.
Provides a similar green freshness but with more pronounced woody and citrus aspects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this material.
RIFM Assessment
Limited safety assessment data available; use with standard precautions for new synthetic materials.
Sustainability
As a synthetic material, 1-Cyclohexene-1-propanal, 4,4-dimethyl- offers consistent quality without natural resource depletion. Its production can be optimized for minimal environmental impact through green chemistry principles. Being synthetic, it avoids issues associated with agricultural sourcing but requires energy-intensive manufacturing processes.
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References
- PubChem Compound Summary CID N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 850997-10-3Physical Properties
| Molecular Weight | 166.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 229 °C🔬 EPA CompTox |
| Vapor Pressure | 0.4467 mmHg @ 25°C📊 OPERA |
| Flash Point | 88 °C🔬 EPA CompTox |
| Involatility Index | 0.0373💻 Calculated |
| log Kp (skin permeability) | -2.01💻 Calculated |
| SMILES | CC1(CCC(=CC1)CCC=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• 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: DTXSID60889212
Physical Properties
| Molecular Weight | 166.264 g/mol🔬 EPA CompTox |
| Density | 0.886 g/cm^3📊 OPERA |
| Boiling Point | 226.804 °C📊 OPERA |
| Melting Point | 9.69 °C📊 OPERA |
| Flash Point | 90.318 °C📊 OPERA |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 187.552 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.15 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.15 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.15 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.87 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.199 mmHg📊 OPERA |
| Viscosity | 3.04 cP📊 OPERA |
| Surface Tension | 27.598 dyn/cm📊 OPERA |
| Thermal Conductivity | 127.222 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.738 cm^3/mol📊 OPERA |
| Polarizability | 20.114 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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