3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)- (CAS 292605-05-1) — Green Top to Middle Note Fragrance Ingredient
3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)-
CAS 292605-05-1
What Is 3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)-?
3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)- is a synthetic fragrance ingredient primarily used in modern perfumery. It is found in various personal care and household products. This compound is valued for its unique olfactory properties, contributing to innovative scent profiles in contemporary fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)- Smell Like?
This synthetic molecule offers a fresh, green, and slightly fruity aroma with a subtle woody undertone. It evolves from a bright top note to a more rounded heart, providing a modern twist to traditional green accords. The dry-down retains a clean, slightly metallic edge, making it versatile for contemporary fragrance compositions.
2D Molecular Structure
SMILES: CC\C=C/CCOCC(C)=C
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)- is a synthetic organic compound belonging to the class of unsaturated ethers. It is synthesized through controlled chemical reactions involving unsaturated hydrocarbons and ether-forming reagents. The (3Z)- configuration indicates a specific geometric isomerism, which can influence its olfactory characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as a green modifier |
| Household Products | 0.5-2% | Up to 3% | Adds freshness |
Classic Accords
Tip: Use in small quantities to enhance green and fresh notes without overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment data available.
Sustainability
As a synthetic ingredient, this compound is produced in controlled laboratory settings, reducing the environmental impact associated with natural extraction. Its synthesis can be optimized for minimal waste and energy consumption.
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Ingredient Data Sheet
CAS 292605-05-1Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 186 °C🔬 EPA CompTox |
| Vapor Pressure | 0.7748 mmHg @ 25°C📊 OPERA |
| Flash Point | 56.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0672💻 Calculated |
| log Kp (skin permeability) | -1.44💻 Calculated |
| SMILES | CCC=CCCOCC(=C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| Functional Groups | etheralkene💻 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: DTXSID7051971
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 0.82 g/cm^3🔬 EPA CTX |
| Boiling Point | 190.36 °C📊 OPERA |
| Melting Point | -60.894 °C📊 OPERA |
| Flash Point | 56.683 °C📊 OPERA |
| Refractive Index | 1.441 Dimensionless📊 OPERA |
| Molar Volume | 188.475 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.09 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.2 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.2 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.61 Log10 unitless📊 OPERA |
| Water Solubility | 0.01 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.775 mmHg🔬 EPA CTX |
| Viscosity | 1.105 cP📊 OPERA |
| Surface Tension | 25.023 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.186 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.749 cm^3/mol📊 OPERA |
| Polarizability | 19.722 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.
