3,7-Dimethyl-3,6-octadienal (CAS 55722-59-3) — Citrus Top Note Fragrance Ingredient
3,7-Dimethyl-3,6-octadienal
CAS 55722-59-3
What Is 3,7-Dimethyl-3,6-octadienal?
3,7-Dimethyl-3,6-octadienal is a synthetic fragrance ingredient used to add fresh, citrusy, and slightly floral notes to perfumes and scented products. It’s often found in fine fragrances, body care items, and household cleaners. This ingredient matters because it provides a crisp, modern twist to traditional citrus accords, making scents feel more vibrant and contemporary.
Safety Profile
GENERALLY SAFEWhat Does 3,7-Dimethyl-3,6-octadienal Smell Like?
3,7-Dimethyl-3,6-octadienal opens with a burst of zesty citrus, reminiscent of freshly peeled grapefruit with a hint of bergamot. As it evolves, a subtle floral heart emerges, like the faint whisper of orange blossoms carried on a sea breeze. The dry-down reveals a clean, slightly woody undertone, akin to sun-warmed cedar leaves. Its behavior is lively yet controlled, making it a versatile player in modern fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the citrusy freshness, adding a modern twist to the classic lemon and apple notes.
Provides a crisp, clean edge to the herbal and citrus accord, modernizing the classic fougère structure.
2D Molecular Structure
SMILES: CC(C)=CCC=C(C)CC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
3,7-Dimethyl-3,6-octadienal is an aliphatic aldehyde with a molecular formula of C10H16O. It is synthesized through the oxidation of corresponding alcohols or via aldol condensation reactions. Its structure features a conjugated diene system, which contributes to its vibrant, fresh odor profile. The molecule’s chirality can influence its scent characteristics, with different enantiomers exhibiting varying intensity and nuance.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 3-8% | Up to 15% | Adds fresh top notes |
| Body Care | 1-5% | Up to 10% | Enhances citrusy freshness |
Classic Accords
Tip: Use in citrus and fresh accords to add vibrancy and modernity.
Alternatives & Comparisons
When a more pronounced lemon note is desired, though it can be more sensitizing.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM safety assessment pending.
Sustainability
As a synthetic ingredient, 3,7-Dimethyl-3,6-octadienal is produced in controlled laboratory settings, minimizing environmental impact compared to some natural extracts. Its production can be optimized for low waste and energy efficiency.
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References
- PubChem: 3,7-Dimethyl-3,6-octadienal PubChem CID
- IFRA Standards Library IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 55722-59-3Physical Properties
| Molecular Weight | 152.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.9🔬 PubChem |
| Boiling Point | 229 °C🔬 EPA CompTox |
| Vapor Pressure | 0.6457 mmHg @ 25°C📊 OPERA |
| Flash Point | 82.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0564💻 Calculated |
| log Kp (skin permeability) | -1.57💻 Calculated |
| SMILES | CC(=CCC=C(C)CC=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrussweet• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
| “Floral-citrusy, delicate odor, very different from that of Citral. Sweeter, fresher than Citral, and more floral (Lily-like).”📖 Arctander | |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID5069045
Physical Properties
| Molecular Weight | 152.237 g/mol🔬 EPA CompTox |
| Density | 0.861 g/cm^3📊 OPERA |
| Boiling Point | 221.187 °C📊 OPERA |
| Melting Point | 11.158 °C📊 OPERA |
| Flash Point | 83.1 °C📊 OPERA |
| Refractive Index | 1.457 Dimensionless📊 OPERA |
| Molar Volume | 177.753 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.123 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.123 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.123 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.01 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.31 mmHg📊 OPERA |
| Viscosity | 1.332 cP📊 OPERA |
| Surface Tension | 25.346 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.635 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 | 48.365 cm^3/mol📊 OPERA |
| Polarizability | 19.174 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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