2,4,4,7-Tetramethyl-6-octen-3-one (CAS 74338-72-0) — Woody Base Note Fragrance Ingredient
2,4,4,7-Tetramethyl-6-octen-3-one
CAS 74338-72-0
What Is 2,4,4,7-Tetramethyl-6-octen-3-one?
2,4,4,7-Tetramethyl-6-octen-3-one is a synthetic fragrance ingredient used to add woody, musky nuances to perfumes. It’s found in premium fragrances where subtle complexity is desired. This molecule matters because it bridges fresh top notes with deeper base accords, offering perfumers a tool to enhance longevity without overpowering.
Safety Profile
USE WITH AWARENESSWhat Does 2,4,4,7-Tetramethyl-6-octen-3-one Smell Like?
A chameleon-like molecule that begins with crisp, almost citrusy woodiness before revealing a suede-like musk core. Over hours, it settles into a skin-hugging warmth reminiscent of sun-warmed cedar chests. The dry-down suggests antique linens stored with lavender sachets – not herbal, but that comforting intersection of fabric, wood, and time.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the elusive pencil shavings accord that makes this fragrance iconic, blending with cardamom and violet for urban sophistication.
Used sparingly to amplify the flinty mineral character, adding dimensionality to the vetiver base.
2D Molecular Structure
SMILES: CC(C)C(=O)C(C)(C)CC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A methylated unsaturated ketone with significant steric hindrance around the carbonyl group. This constrained geometry contributes to its slow evaporation rate and resistance to oxidation. Synthesized via Grignard reactions followed by controlled oxidation, often starting from prenyl derivatives. The tetrasubstituted double bond introduces stability while allowing subtle conformational flexibility that modulates scent diffusion.
Physical & Chemical Properties
| Molecular Weight | 196.33 g/mol |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| LogP | ~4.2 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Luxury Fragrances | 0.5-2% | Up to 3% | For woody-musky accentuation |
| Home Fragrances | 0.1-0.5% | Up to 1% | Adds sophisticated warmth |
Classic Accords
Tip: Use with ionones to create velvety transitions between floral and woody notes.
Alternatives & Comparisons
When a brighter, more transparent woody effect is needed without the musk undertones.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA 51st Amendment.
GHS Classification
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
Synthesized from petrochemical precursors with relatively efficient atom economy. Current research explores bio-based routes using modified terpene feedstocks to reduce environmental impact while maintaining performance.
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References
- PubChem Compound Summary for 2,4,4,7-Tetramethyl-6-octen-3-one PubChem CID
- IFRA Standards Library 51st Amendment IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 74338-72-0Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 220 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0891 mmHg @ 25°C📊 OPERA |
| Flash Point | 83 °C🔬 EPA CompTox |
| Involatility Index | 0.0071💻 Calculated |
| log Kp (skin permeability) | -1.114💻 Calculated |
| SMILES | CC(C)C(=O)C(C)(C)CC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
| Functional Groups | ketonealkene💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
Trade Names
| Claritone®(Symrise).📖 Surburg |
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: DTXSID9072789
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.83 g/cm^3📊 OPERA |
| Boiling Point | 225.305 °C📊 OPERA |
| Melting Point | 9.64 °C📊 OPERA |
| Flash Point | 77.798 °C📊 OPERA |
| Refractive Index | 1.441 Dimensionless📊 OPERA |
| Molar Volume | 217.577 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.041 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.041 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.041 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.69 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.063 mmHg📊 OPERA |
| Viscosity | 1.111 cP📊 OPERA |
| Surface Tension | 25.95 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.469 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.498 cm^3/mol📊 OPERA |
| Polarizability | 22.794 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.
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