2,3,4-Trimethyl-3-pentanol (CAS 3054-92-0) — Woody Top-Middle Note Fragrance Ingredient
2,3,4-Trimethyl-3-pentanol
CAS 3054-92-0
What Is 2,3,4-Trimethyl-3-pentanol?
2,3,4-Trimethyl-3-pentanol is a synthetic alcohol used in fine fragrances and functional perfumery. It’s found in air fresheners and household products for its clean, woody character. This ingredient matters because it adds diffusion and lift to fragrance compositions, helping scents project while blending seamlessly with other materials.
Safety Profile
GENERALLY SAFEWhat Does 2,3,4-Trimethyl-3-pentanol Smell Like?
A crisp, modern alcohol with the freshness of mountain air meeting polished wood. Opens with a transparent, almost metallic cleanness that evolves into a dry cedar plank character. The dry-down reveals subtle ambery warmth, like sun-bleached driftwood. Exceptionally versatile, it can read as both natural and high-tech depending on context – imagine a Scandinavian sauna built with laser-cut timber.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the polished wood effect, creating that signature ‘cashmere wood’ texture that makes this fragrance so distinctive.
Contributes to the icy mineral freshness, acting as a bridge between citrus top notes and woody base.
2D Molecular Structure
SMILES: CC(C)C(C)(O)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A branched-chain tertiary alcohol with three methyl groups strategically placed to influence both volatility and odor characteristics. Synthesized through Grignard reactions or hydroformylation of corresponding alkenes. The steric hindrance from the methyl groups creates unique interactions with olfactory receptors, explaining its clean yet substantive character.
Physical & Chemical Properties
| Boiling Point | Estimated 180-200°C |
|---|---|
| Density | ~0.82 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | For diffusion and woody lift |
| Functional | 0.5-3% | Up to 5% | Clean background note |
Classic Accords
Tip: Use to ‘sand’ rough edges off harsh woody materials while boosting projection.
Alternatives & Comparisons
When more amber warmth is desired while maintaining similar diffusion properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA standards.
RIFM Assessment
Not currently evaluated by RIFM – considered low priority due to minimal exposure and favorable toxicological profile.
Sustainability
Synthesized from petrochemical feedstocks but requires minimal energy input compared to many fragrance materials. No known ecological toxicity at usage levels. Being synthetic, it doesn’t contribute to overharvesting of natural resources.
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Ingredient Data Sheet
CAS 3054-92-0Physical Properties
| Molecular Weight | 130.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 78 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.719💻 Calculated |
| SMILES | CC(C)C(C)(C(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | alcohol💻 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: DTXSID90184621
Physical Properties
| Molecular Weight | 130.231 g/mol🔬 EPA CompTox |
| Density | 0.848 g/cm^3🔬 EPA CTX |
| Boiling Point | 156.55 °C🔬 EPA CTX |
| Melting Point | -23.609 °C📊 OPERA |
| Flash Point | 48.009 °C📊 OPERA |
| Refractive Index | 1.424 Dimensionless📊 OPERA |
| Molar Volume | 158.897 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.343 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.343 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.343 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.81 Log10 unitless📊 OPERA |
| Water Solubility | 0.043 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.821 mmHg📊 OPERA |
| Viscosity | 1.986 cP📊 OPERA |
| Surface Tension | 24.548 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.001 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.53 cm^3/mol📊 OPERA |
| Polarizability | 16.067 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.
