3-Methyl-1-pentanol (CAS 589-35-5) — Green Top to middle Note Fragrance Ingredient
3-Methyl-1-pentanol
CAS 589-35-5
What Is 3-Methyl-1-pentanol?
3-Methyl-1-pentanol is a synthetic alcohol used in fragrances to add fruity, green, and slightly woody nuances. You might encounter it in fresh floral compositions or fruity body care products. This ingredient matters because it helps create natural-smelling fruit accords without using actual fruit extracts, which are often unstable in formulations.
Safety Profile
GENERALLY SAFEWhat Does 3-Methyl-1-pentanol Smell Like?
3-Methyl-1-pentanol presents a complex olfactory profile that evolves intriguingly. The initial burst suggests unripe bananas mingled with green apple skins – tart, slightly astringent, with a waxy undertone. As it settles, the character softens into a melon-like sweetness with whispers of freshly cut grass. The dry-down reveals subtle woody facets reminiscent of young twigs, making it surprisingly versatile. In dilution, it acquires an almost floral delicacy that belies its alcoholic nature.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the crisp green apple top notes while providing naturalistic fruity depth that lasts through the heart phase.
Contributes to the tart mango accord, blending seamlessly with hedione to create the illusion of sun-warmed fruit skins.
2D Molecular Structure
SMILES: CCC(C)CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Methyl-1-pentanol belongs to the aliphatic alcohol class, specifically a branched-chain hexanol isomer. While theoretically possible in nature, it’s predominantly synthesized via hydroformylation of 2-methyl-1-butene followed by hydrogenation. The molecule exhibits chirality – the (R)-enantiomer tends to smell fruitier while the (S)-form leans greener. Industrial production typically yields racemic mixtures unless specific catalysts are employed.
Physical & Chemical Properties
| Boiling Point | 148-150 °C |
|---|---|
| Density | 0.82 g/cm³ |
| Refractive Index | 1.417 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity-green modifier |
| Body Care | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Use with citrus terpenes to prevent harsh alcoholic notes from dominating the top.
Alternatives & Comparisons
More straightforward green-alcoholic character when less fruity complexity is desired.
For brighter, more pungent green notes with less fruity undertone.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under any IFRA standards.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no sensitization concerns.
Sustainability
As a synthetic material, 3-methyl-1-pentanol has minimal environmental impact in production compared to natural extracts. Its efficient synthesis from petrochemical feedstocks makes it carbon-footprint favorable versus fruit-derived alternatives requiring agricultural land use.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090860
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID20862248
Physical Properties
| Molecular Weight | 102.177 g/mol🔬 EPA CompTox |
| Density | 0.823 g/cm^3🔬 EPA CTX |
| Boiling Point | 151.5 °C🔬 EPA CTX |
| Melting Point | -26.676 °C📊 OPERA |
| Flash Point | 58.05 °C🔬 EPA CTX |
| Refractive Index | 1.414 Dimensionless📊 OPERA |
| Molar Volume | 125.459 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.748 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.748 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.748 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.37 Log10 unitless📊 OPERA |
| Water Solubility | 0.084 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.768 mmHg📊 OPERA |
| Viscosity | 3.13 cP📊 OPERA |
| Surface Tension | 25.866 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.893 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 | 31.34 cm^3/mol📊 OPERA |
| Polarizability | 12.424 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.
