1-Methyl-2,3-cyclohexadione (CAS 3008-43-3) — Woody Middle to base Note Fragrance Ingredient
1-Methyl-2,3-cyclohexadione
CAS 3008-43-3
What Is 1-Methyl-2,3-cyclohexadione?
1-Methyl-2,3-cyclohexadione is a synthetic fragrance ingredient primarily used in perfumery for its unique aroma. It is found in niche and experimental fragrances. This compound matters because it offers perfumers a distinctive building block for creating novel scent profiles that can’t be achieved with traditional ingredients.
Safety Profile
USE WITH AWARENESSWhat Does 1-Methyl-2,3-cyclohexadione Smell Like?
1-Methyl-2,3-cyclohexadione presents a complex olfactory profile with initial sharp, slightly medicinal top notes that evolve into a warm, woody-heart with caramelic undertones. The dry-down reveals a subtle leathery character with a faint balsamic sweetness, making it useful for adding depth and intrigue to modern compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a core modifier
Used as a core molecule to create an avant-garde leather-woody accord with unexpected caramelic facets.
2D Molecular Structure
SMILES: CC1CCCC(=O)C1=O
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Methyl-2,3-cyclohexadione belongs to the cyclohexadione class of compounds. While not found in nature, it is synthesized through controlled oxidation reactions of methyl-substituted cyclohexanes. The molecule’s reactivity makes it valuable for creating complex odor profiles through subsequent chemical modifications during fragrance development.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Data not available |
| Density | Data not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as an accent note |
| Functional Fragrance | 0.1-1% | Up to 3% | Limited use due to intensity |
Classic Accords
Tip: Best used in trace amounts to add complexity without overwhelming the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Monitoring status due to limited safety data.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests moderate skin tolerance at low concentrations.
Sustainability
As a synthetic material, 1-Methyl-2,3-cyclohexadione has minimal environmental impact in production. Its potency allows for low usage rates, reducing overall environmental burden compared to some natural alternatives.
Explore 1-Methyl-2,3-cyclohexadione
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9047675
Physical Properties
| Molecular Weight | 126.155 g/mol🔬 EPA CompTox |
| Density | 1.047 g/cm^3📊 OPERA |
| Boiling Point | 196.31 °C📊 OPERA |
| Melting Point | 59.3 °C🔬 EPA CTX |
| Flash Point | 66.033 °C📊 OPERA |
| Refractive Index | 1.459 Dimensionless📊 OPERA |
| Molar Volume | 119.441 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.552 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.552 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.552 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.31 Log10 unitless📊 OPERA |
| Water Solubility | 0.274 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.408 mmHg📊 OPERA |
| Viscosity | 1.805 cP📊 OPERA |
| Surface Tension | 34.372 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.267 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 34.14 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 32.64 cm^3/mol📊 OPERA |
| Polarizability | 12.939 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.
