2,6-Dimethyl-5-heptenal (CAS 106-72-9) — Green Top to middle Note Fragrance Ingredient
2,6-Dimethyl-5-heptenal
CAS 106-72-9
What Is 2,6-Dimethyl-5-heptenal?
2,6-Dimethyl-5-heptenal is a synthetic fragrance ingredient used to add fresh, green, and slightly metallic nuances to perfumes. It’s often found in floral and citrus compositions for household products and fine fragrances. This aldehyde contributes a crisp, modern edge to scents, making it valuable for creating contemporary accords that stand out in crowded markets.
Safety Profile
USE WITH AWARENESSWhat Does 2,6-Dimethyl-5-heptenal Smell Like?
2,6-Dimethyl-5-heptenal opens with a sharp, green burst reminiscent of freshly crushed leaves, evolving into a crisp metallic edge like rain on hot pavement. The dry-down reveals a subtle floralcy akin to distant gardenias, underpinned by a clean, soapy undertone that lingers with almost citrus-like freshness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the citrus top notes while adding a modern green dimension that complements the herbal heart.
Provides the sharp green accent that defines this groundbreaking chlorophyll-inspired fragrance.
2D Molecular Structure
SMILES: CC(CCC=C(C)C)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This unsaturated aldehyde belongs to the family of branched-chain aldehydes, synthesized through aldol condensation reactions. Its structure features both aldehyde functionality and a double bond, making it reactive in perfumery applications. The molecule’s shape creates specific olfactory receptors activation patterns responsible for its unique green-metallic character.
Physical & Chemical Properties
| Boiling Point | ~180-190 °C (estimated) |
|---|---|
| Molecular Weight | 140.22 g/mol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | For fresh green accents |
| Functional Products | 0.05-0.2% | Up to 0.5% | Provides clean effects |
Classic Accords
Tip: Use sparingly to avoid overwhelming compositions with its metallic character.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards, but usage should follow general aldehyde precautions.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
GHS Classification
RIFM Assessment
RIFM has reviewed safety data and established acceptable use levels in fragrance applications.
Sustainability
As a synthetic material, 2,6-Dimethyl-5-heptenal doesn’t rely on natural resources but requires energy-intensive production. Modern manufacturing processes aim to minimize environmental impact through efficient catalysis and waste reduction.
Explore 2,6-Dimethyl-5-heptenal
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References
- Brenna, E. et al. (2002). Fragrance Chemistry. Tetrahedron, 58(44), 8961-8972. DOI: 10.1016/S0040-4020(02)01124-2
- IFRA Standards Library, 49th Amendment. IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 106-72-9Physical Properties
| Molecular Weight | 140.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 181 °C🔬 EPA CompTox |
| Vapor Pressure | 0.76 mmHg @ 25°C📊 OPERA |
| Flash Point | 62 °C🔬 EPA CompTox |
| Involatility Index | 0.0692💻 Calculated |
| log Kp (skin permeability) | -1.78💻 Calculated |
| SMILES | CC(CCC=C(C)C)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenmelon• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
| “00C—CH(CH& Its peculiar fruity -resinous-balsamic sweet- / ness is quite characteristic of this series of \ esters, and it makes them suitable for Oriental ( fragrance creations with Opopanax, Labda- num, Patchouli, etc. HeaW, fruit y-balsamic odor of good tena- city. It performs very well in various types of Almost insoluble in water, soluble in alcohol household fragrance, and gives pleasant eff”📖 Arctander | |
| 2,6-Dimethyl-5-heptenal has a characteristic odor of melon and a corresponding taste.📖 Fenaroli | |
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: DTXSID8044753
Physical Properties
| Molecular Weight | 140.226 g/mol🔬 EPA CompTox |
| Density | 0.85 g/cm^3🔬 EPA CTX |
| Boiling Point | 181 °C🔬 EPA CTX |
| Melting Point | -17.185 °C📊 OPERA |
| Flash Point | 61.117 °C🔬 EPA CTX |
| Refractive Index | 1.434 Dimensionless📊 OPERA |
| Molar Volume | 168.207 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.138 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.138 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.138 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.228 mmHg🔬 EPA CTX |
| Viscosity | 1.662 cP📊 OPERA |
| Surface Tension | 26.013 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.94 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 | 43.791 cm^3/mol📊 OPERA |
| Polarizability | 17.36 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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