Reaction mass of (E)-3,7-dimethylnon-6-en-1-ol and (Z)-3,7-dimethylnon-6-en-1-ol (CAS 41972-59-2) — Green Top to middle Note Fragrance Ingredient
Reaction mass of (E)-3,7-dimethylnon-6-en-1-ol and (Z)-3,7-dimethylnon-6-en-1-ol
CAS 41972-59-2
What Is Reaction mass of (E)-3,7-dimethylnon-6-en-1-ol and (Z)-3,7-dimethylnon-6-en-1-ol?
This synthetic fragrance ingredient is a carefully balanced mixture of two similar molecules, often used to create fresh, green, and slightly floral effects in modern perfumes. You’ll encounter it in body care products and fine fragrances where a natural, outdoorsy quality is desired. It matters because this specific blend allows perfumers to achieve consistent scent profiles that might vary if using natural alternatives, while also being more sustainable than harvesting rare botanicals.
Safety Profile
GENERALLY SAFEWhat Does Reaction mass of (E)-3,7-dimethylnon-6-en-1-ol and (Z)-3,7-dimethylnon-6-en-1-ol Smell Like?
The reaction mass delivers a crisp, dewy green character reminiscent of freshly crushed leaves, with subtle floral undertones that suggest lily-of-the-valley without being overtly sweet. On first application, it presents a lively top note that’s almost citrus-adjacent in its brightness, which gradually softens into a smooth, slightly woody greenness. The dry-down reveals remarkable tenacity for a green note, leaving a clean trace that blends seamlessly with floral and woody accords. Unlike some sharper green notes, this maintains a rounded, approachable quality throughout its evolution.
2D Molecular Structure
SMILES: CCC(=CCCC(C)CCO)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This is a carefully controlled reaction mass containing both (E)- and (Z)- isomers of 3,7-dimethylnon-6-en-1-ol, with the ratio typically optimized for olfactory performance. The synthesis involves selective hydrogenation of appropriate precursors to achieve the desired double bond configuration. Being synthetic, it offers consistency that natural extracts can’t match, with batch-to-batch variation minimized through precise process controls. The interplay between the two isomers creates a more complex odor profile than either could achieve alone, demonstrating how subtle structural differences impact scent perception.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Green-modifying agent |
| Body Care | 0.5-2% | Up to 3% | Freshness booster |
| Functional Products | 0.1-0.5% | Up to 1% | Deodorizing effect |
Classic Accords
Tip: Use to bridge citrus top notes to floral heart notes in aquatic and green fragrances.
Alternatives & Comparisons
More intense ‘cut grass’ character but less stable and shorter-lasting. Better for fresh top notes rather than heart note support.
Offers similar green effects with added floralcy and better diffusion, though at higher cost.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards (Amendment 49).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with wide margins of safety.
Sustainability
As a synthetic material, this reaction mass avoids the agricultural impacts of natural alternatives while providing consistent performance. The manufacturing process has been optimized to minimize waste and energy use, with most byproducts being recycled within the production system. Its potency means relatively small quantities are needed compared to some natural extracts, further reducing environmental burden per unit of fragrance.
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Ingredient Data Sheet
CAS 41972-59-2Physical Properties
| Molecular Weight | 170.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| log Kp (skin permeability) | -1.183💻 Calculated |
| SMILES | CCC(=CCCC(C)CCO)C🔬 PubChem |
Odor & Flavor
| Functional Groups | alcoholalkene💻 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
Physical Properties
| Molecular Weight | 170.29 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 3.6 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Molar Refractivity | 54.15 cm^3/mol💻 Computed |
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.
