2-Pentanol (CAS 6032-29-7) — Citrus N/A Note Fragrance Ingredient
2-Pentanol
CAS 6032-29-7
What Is 2-Pentanol?
2-Pentanol is a synthetic alcohol used in industrial fragrances and as a solvent. It’s rarely encountered directly by consumers but may appear in some cleaning products. While not a major fragrance ingredient, it serves as a building block for more complex aroma chemicals in perfumery.
Safety Profile
USE WITH AWARENESSWhat Does 2-Pentanol Smell Like?
2-Pentanol has a sharp, alcoholic odor with faint fruity undertones. Its scent profile is relatively simple compared to more complex fragrance materials, presenting as a harsh, burning alcohol note that lacks the refinement of higher molecular weight alcohols. The odor tends to persist with little evolution, maintaining its chemical character throughout evaporation.
2D Molecular Structure
SMILES: CCCC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Pentanol is a secondary alcohol with a five-carbon chain. Industrially produced through hydration of pentenes or reduction of pentanones, it serves primarily as a chemical intermediate rather than a direct fragrance ingredient. Its simple structure lacks the complexity typically desired in perfumery materials, limiting its direct application in fine fragrances.
Physical & Chemical Properties
| Boiling Point | 119-120 °C |
|---|---|
| Density | 0.81 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Applications | 0.1-1% | Up to 5% | Primarily as solvent or intermediate |
Classic Accords
Tip: Not recommended for use in fine fragrance formulations due to harsh odor profile.
Alternatives & Comparisons
Primary alcohol with similar properties but slightly more refined odor profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not specifically restricted by IFRA due to minimal use in fragrance applications.
GHS Classification
RIFM Assessment
Not formally evaluated by RIFM due to minimal fragrance use.
Sustainability
As a petrochemical-derived synthetic, 2-pentanol has standard environmental considerations of hydrocarbon chemistry. Its production involves typical energy inputs and emissions associated with industrial alcohol synthesis. Not considered a green or sustainable material in modern perfumery.
Explore 2-Pentanol
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 6032-29-7Physical Properties
| Molecular Weight | 88.15 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.2🔬 PubChem |
| Boiling Point | 112.2 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 35 °C🔬 EPA CompTox |
| Involatility Index | 0.1148💻 Calculated |
| log Kp (skin permeability) | -2.386💻 Calculated |
| SMILES | CCCC(C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | alcoholicetherealsolvent• leffingwell |
| Functional Groups | alcohol💻 RDKit |
| “Winey-ethereal, rather choking odor, somewhat drier than that of commercial "Amyl alcohol".”📖 Arctander | |
| 2-Pentanol has a mild green, fusel-oil odor. This compound is also reported as having a winy, ethereal odor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Mainly used as an intermediate in the production of esters for fruit flavors.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 11.3842 ppm (n=2)📖 van Gemert |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID3052721
Physical Properties
| Molecular Weight | 88.15 g/mol🔬 EPA CompTox |
| Density | 0.809 g/cm^3🔬 EPA CTX |
| Boiling Point | 118.8 °C🔬 EPA CTX |
| Melting Point | -60.063 °C🔬 EPA CTX |
| Flash Point | 36.796 °C🔬 EPA CTX |
| Refractive Index | 1.405 Dimensionless📊 OPERA |
| Molar Volume | 108.952 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.187 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.274 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.274 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.51 Log10 unitless📊 OPERA |
| Water Solubility | 0.512 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 5.283 mmHg🔬 EPA CTX |
| Viscosity | 2.99 cP📊 OPERA |
| Surface Tension | 25.284 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.744 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 | 26.707 cm^3/mol📊 OPERA |
| Polarizability | 10.587 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.
