3,5,5-Trimethyl-1-hexanol (CAS 3452-97-9) — Woody Heart to Base Note Fragrance Ingredient
3,5,5-Trimethyl-1-hexanol
CAS 3452-97-9
What Is 3,5,5-Trimethyl-1-hexanol?
3,5,5-Trimethyl-1-hexanol is a synthetic alcohol used in fragrances to add fresh, woody, and slightly floral nuances. You’ll encounter it in personal care products like deodorants and body sprays. This ingredient matters because it helps create long-lasting, clean scent profiles that are popular in modern masculine and unisex fragrances.
Safety Profile
GENERALLY SAFEWhat Does 3,5,5-Trimethyl-1-hexanol Smell Like?
3,5,5-Trimethyl-1-hexanol opens with a crisp, clean alcohol note that quickly evolves into a fresh woody character reminiscent of freshly cut lumber. The heart reveals subtle floral undertones that blend with a mild coconut-like sweetness. As it dries down, it leaves a persistent woody-musky trail with excellent tenacity. The overall effect is clean, modern, and slightly ozonic – like mountain air filtered through a cedar forest.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-modifier in the fresh fougère accord, adding clean depth to the citrus top notes and blending with sandalwood in the base.
Provides the ozonic-woody backbone that supports the ambroxan, creating the signature ‘metallic freshness’ of this modern classic.
2D Molecular Structure
SMILES: CC(CCO)CC(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
3,5,5-Trimethyl-1-hexanol is a branched-chain primary alcohol. As a synthetic material, it’s produced through hydroformylation of diisobutylene followed by hydrogenation. The branching at the 3 and 5 positions gives it unique steric properties that affect both its volatility and odor characteristics. Chemically, it’s part of the aliphatic alcohol family, sharing some structural similarities with citronellol but with more pronounced woody aspects due to the additional methyl groups.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody modifier |
| Body Care | 0.5-1.5% | Up to 2% | Freshness enhancer |
Classic Accords
Tip: Use with citrus top notes to create ‘lifted’ woody effects in fresh fougères.
Alternatives & Comparisons
More pronounced woody character with less fresh top notes, better for oriental blends.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Considered safe for use in fragrances based on structural analogs.
Sustainability
As a synthetic material, 3,5,5-Trimethyl-1-hexanol has consistent quality and doesn’t rely on natural resources. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. The material’s potency means relatively small amounts are needed in formulations, reducing environmental load.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7029661
Physical Properties
| Molecular Weight | 144.258 g/mol🔬 EPA CompTox |
| Density | 0.829 g/cm^3🔬 EPA CTX |
| Boiling Point | 195 °C🔬 EPA CTX |
| Melting Point | -76.667 °C🔬 EPA CTX |
| Flash Point | 82 °C🔬 EPA CTX |
| Refractive Index | 1.43 Dimensionless📊 OPERA |
| Molar Volume | 175.027 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1673.04 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.855 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.855 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.86 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.581 mmHg🔬 EPA CTX |
| Viscosity | 4.406 cP📊 OPERA |
| Surface Tension | 26.035 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.347 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.204 cm^3/mol📊 OPERA |
| Polarizability | 17.92 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.
