7-Methoxy-3,7-dimethyloct-1-ene (CAS 53767-86-5) — Green Top to middle Note Fragrance Ingredient
7-Methoxy-3,7-dimethyloct-1-ene
CAS 53767-86-5
What Is 7-Methoxy-3,7-dimethyloct-1-ene?
7-Methoxy-3,7-dimethyloct-1-ene is a synthetic fragrance ingredient used in modern perfumery to create fresh, green, and slightly woody accords. It’s found in air fresheners, fabric softeners, and some contemporary citrus colognes. This molecule matters because it helps perfumers achieve crisp top notes without relying on natural extracts, offering consistency and sustainability advantages over plant-derived alternatives.
Safety Profile
GENERALLY SAFEWhat Does 7-Methoxy-3,7-dimethyloct-1-ene Smell Like?
Opens with a sharp, almost metallic greenness reminiscent of freshly crushed galbanum leaves, quickly revealing a clean citrus-woody character akin to peeled mandarin zest over wet stones. The heart develops a subtle floral undertone like distant orange blossoms, while the dry-down presents a refined woody-musky base with whispers of ambroxan-like warmth. Throughout its evolution, it maintains an energetic, diffusive quality perfect for modern fresh compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrus top notes while adding dimensionality to the green tea accord, creating an airy yet substantive opening.
Contributes to the signature ‘wet stone’ effect in this iconic unisex fragrance, blending seamlessly with juniper and pineapple notes.
2D Molecular Structure
SMILES: COC(C)(C)CCCC(C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
This branched-chain unsaturated ether belongs to the class of aliphatic oxygenated compounds. While not found in nature, its structure mimics certain terpenoid oxidation products. Industrial synthesis typically involves acid-catalyzed condensation of prenyl derivatives with methoxy-containing precursors. The molecule’s chirality at the 3-position influences its odor profile, with the (R)-enantiomer exhibiting sharper green characteristics.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~210 °C (estimated) |
| Density | ~0.85 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note component |
| Functional Products | 0.1-0.5% | Up to 1% | Clean scent modifier |
Classic Accords
Tip: Use with citrus oils to extend their freshness and add diffusion.
Alternatives & Comparisons
Offers similar green-woody characteristics but with greater tenacity and less citrus character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment published as of 2023.
Sustainability
As a synthetic material, this ingredient avoids agricultural land use and seasonal variability. Production typically uses petrochemical feedstocks, though bio-based routes are being explored. Its efficiency in formulations reduces overall fragrance load requirements.
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References
- Bauer et al. (2001). Modern Synthetic Methods in Perfumery. Chemistry & Biodiversity. DOI:10.1002/cbdv.200600013
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 53767-86-5Physical Properties
| Molecular Weight | 170.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 199 °C🔬 EPA CompTox |
| Vapor Pressure | 0.8511 mmHg @ 25°C📊 OPERA |
| Flash Point | 63.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0703💻 Calculated |
| log Kp (skin permeability) | -1.325💻 Calculated |
| SMILES | CC(CCCC(C)(C)OC)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreen• leffingwell |
| Functional Groups | etheralkene💻 RDKit |
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: DTXSID30866358
Physical Properties
| Molecular Weight | 170.296 g/mol🔬 EPA CompTox |
| Density | 0.813 g/cm^3🔬 EPA CTX |
| Boiling Point | 198.554 °C📊 OPERA |
| Melting Point | -52.355 °C📊 OPERA |
| Flash Point | 62.667 °C🔬 EPA CTX |
| Refractive Index | 1.427 Dimensionless📊 OPERA |
| Molar Volume | 211.991 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.65 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.65 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.65 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.684 mmHg📊 OPERA |
| Viscosity | 1.775 cP📊 OPERA |
| Surface Tension | 24.238 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.044 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 | 54.405 cm^3/mol📊 OPERA |
| Polarizability | 21.568 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.
