1-(para-Menthen-6-yl)-1-propanone (CAS 31375-17-4) — Woody Top-middle Note Fragrance Ingredient
1-(para-Menthen-6-yl)-1-propanone
CAS 31375-17-4
What Is 1-(para-Menthen-6-yl)-1-propanone?
1-(para-Menthen-6-yl)-1-propanone is a synthetic fragrance ingredient used in modern perfumery to add woody-green nuances. Consumers encounter it in fine fragrances and functional products where a natural, outdoorsy character is desired. This molecule matters because it bridges traditional woody notes with contemporary freshness, offering perfumers a versatile building block without relying on natural extracts.
Safety Profile
GENERALLY SAFEWhat Does 1-(para-Menthen-6-yl)-1-propanone Smell Like?
A crisp, modern interpretation of woody-green themes. Opens with a sappy, almost crushed-leaf freshness reminiscent of breaking twigs, evolving into a dry cedar-like heart with subtle mentholated edges. The dry-down reveals a clean, slightly camphoraceous character that lingers close to the skin, like the aftermath of a forest walk after rain.
2D Molecular Structure
SMILES: CCC(=O)C1CC(CC=C1C)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic ketone derivative structurally related to p-menthane. Designed to mimic certain aspects of natural woody materials while offering superior stability. The propanone side chain introduces polarity that modifies volatility and substantivity compared to simpler terpenoid structures. No known natural occurrence – purely a creation of modern fragrance chemistry.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fresh woody modifier |
| Functional Products | 0.1-0.5% | Up to 1% | Clean background note |
Classic Accords
Tip: Use to add lift to heavy woody bases without introducing sweetness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic material, production avoids agricultural impacts but depends on petrochemical feedstocks. Typical modern fragrance industry processes for waste reduction and energy efficiency apply. No known biodegradability concerns at usage levels.
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Ingredient Data Sheet
CAS 31375-17-4Physical Properties
| Molecular Weight | 194.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 240 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0603 mmHg @ 25°C📊 OPERA |
| Flash Point | 87.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0047💻 Calculated |
| log Kp (skin permeability) | -1.684💻 Calculated |
| SMILES | CCC(=O)C1CC(CC=C1C)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreenleafy• leffingwell |
| Functional Groups | ketonealkene💻 RDKit |
| “The odor is generally described as Petit-grain-like, and there is no other commercially available chemical of a more Petitgrain-like character.”📖 Arctander | |
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: DTXSID8047422
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.89 g/cm^3📊 OPERA |
| Boiling Point | 246.99 °C📊 OPERA |
| Melting Point | 16.188 °C📊 OPERA |
| Flash Point | 95.47 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 217.598 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.06 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.06 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.06 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.13 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.028 mmHg📊 OPERA |
| Viscosity | 4.86 cP📊 OPERA |
| Surface Tension | 29.205 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.936 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.681 cm^3/mol📊 OPERA |
| Polarizability | 23.659 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.
