2,4-Dimethylcyclohex-3-ene-1-methanol (CAS 67634-17-7) — Woody Top to Middle Note Fragrance Ingredient
2,4-Dimethylcyclohex-3-ene-1-methanol
CAS 67634-17-7
What Is 2,4-Dimethylcyclohex-3-ene-1-methanol?
2,4-Dimethylcyclohex-3-ene-1-methanol is a synthetic fragrance ingredient used in modern perfumery. It contributes fresh, woody, and slightly citrusy notes to compositions. You’ll encounter it in contemporary designer fragrances and body care products where it adds crispness and lift. This molecule matters because it represents how modern chemistry expands perfumers’ palettes, creating novel scent experiences that can’t be achieved with traditional natural materials alone.
Safety Profile
GENERALLY SAFEWhat Does 2,4-Dimethylcyclohex-3-ene-1-methanol Smell Like?
This synthetic molecule offers a bright, modern olfactory profile. The initial impression is crisp and slightly metallic, like freshly cut green stems with a subtle citrus undertone. As it evolves, it reveals a clean woody character reminiscent of freshly planed cedar, but with a more contemporary, almost ‘space-age’ quality. The dry-down is surprisingly tenacious for such a fresh material, leaving a faintly musky, skin-like trail that blends seamlessly with other notes. Its odor profile makes it particularly useful for creating futuristic fougères and modern citrus-woody accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create an ultra-modern interpretation of green notes, contributing sharpness and longevity to what would otherwise be fleeting top notes.
Provides the crisp, contemporary woody facet that distinguishes this fragrance from traditional woody compositions.
2D Molecular Structure
SMILES: CC1C=C(C)CCC1CO
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4-Dimethylcyclohex-3-ene-1-methanol belongs to the cyclohexene methanol class of compounds. While not found in nature, its structure suggests it could be derived from terpene precursors through hydrogenation and functional group modification. The molecule features two methyl groups at positions 2 and 4 on the cyclohexene ring, with a hydroxymethyl group at position 1, creating a compact yet versatile structure. Synthesis likely involves catalytic hydrogenation of appropriate terpene derivatives followed by selective oxidation.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Modern woody-citrus modifier |
| Functional Fragrance | 0.5-1.5% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use to bridge citrus top notes with woody base notes in modern compositions.
Alternatives & Comparisons
When a more pronounced woody character is desired without the citrus undertones.
For similar freshness but with more floral-citrus character and less woody depth.
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 RIFM assessment currently available for this material.
Sustainability
As a synthetic material, this compound offers consistent quality without natural variation. Its production avoids agricultural land use and potential overharvesting concerns associated with some natural materials. However, like all synthetic fragrance ingredients, its environmental impact depends on manufacturing processes and energy sources used in production.
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Ingredient Data Sheet
CAS 67634-17-7Physical Properties
| Molecular Weight | 140.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.6🔬 PubChem |
| Boiling Point | 218 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0417 mmHg @ 25°C📊 OPERA |
| Flash Point | 75.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0038💻 Calculated |
| log Kp (skin permeability) | -2.419💻 Calculated |
| SMILES | CC1C=C(CCC1CO)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| 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
DTXSID: DTXSID60867297
Physical Properties
| Molecular Weight | 140.22 g/mol🔬 PubChem |
| Density | 0.932 g/cm^3📊 OPERA |
| Boiling Point | 212.499 °C📊 OPERA |
| Melting Point | 18.382 °C📊 OPERA |
| Flash Point | 81.332 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 156.294 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.781 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.781 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.781 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.35 Log10 unitless📊 OPERA |
| Water Solubility | 0.028 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.073 mmHg📊 OPERA |
| Viscosity | 7.253 cP📊 OPERA |
| Surface Tension | 29.145 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.793 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 42.915 cm^3/mol📊 OPERA |
| Polarizability | 17.013 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.
