Butyl alcohol (CAS 71-36-3) — Citrus Top Note Fragrance Ingredient
Butyl alcohol
CAS 71-36-3
What Is Butyl alcohol?
Butyl alcohol is a common industrial solvent found in paints, coatings, and cleaning products. It has a sharp, alcoholic odor reminiscent of fusel oils or strong spirits. While not typically used as a primary fragrance ingredient, it serves as a solvent or carrier in some perfumes and cosmetic formulations.
Safety Profile
USE WITH AWARENESSWhat Does Butyl alcohol Smell Like?
Butyl alcohol has a harsh, pungent odor characteristic of short-chain alcohols – sharp and solvent-like with a distinct fusel oil quality. The initial impression is intensely alcoholic, reminiscent of strong spirits or industrial solvents. It lacks the sweetness of ethanol, presenting instead a raw, burning sensation in the nose. The dry-down reveals slight fruity undertones, but these are overpowered by the dominant harsh alcohol character.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl alcohol (1-butanol) is a primary alcohol with a four-carbon chain. It’s produced industrially through hydroformylation of propylene followed by hydrogenation of the resulting butyraldehyde. As a simple aliphatic alcohol, it lacks the complex structure of fragrance alcohols like linalool or geraniol. Its chemical reactivity is typical of primary alcohols, participating in esterification and oxidation reactions.
Physical & Chemical Properties
| Boiling Point | 117-118 °C |
|---|---|
| Flash Point | 35 °C |
| Density | 0.81 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | 0.1-1% | Up to 5% | Primarily as solvent |
| Cosmetics | 0.01-0.1% | Up to 0.5% | Rarely used |
Classic Accords
Tip: Use minimal quantities due to harsh odor profile; primarily functions as solvent rather than fragrance component.
Alternatives & Comparisons
Better suited for fragrance applications with less harsh odor profile and higher consumer acceptance.
Similar solvent properties with slightly different odor characteristics, sometimes preferred in industrial applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA, but generally avoided in fine fragrance due to odor profile.
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not considered a significant fragrance material.
Sustainability
Butyl alcohol is primarily produced from petrochemical feedstocks through industrial chemical processes. While production is energy intensive, it’s widely available and inexpensive. There are no significant natural sources used commercially. Environmental impact is mitigated through industrial recycling and controlled disposal.
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Physicochemical Properties
DTXSID: DTXSID1021740
Physical Properties
| Molecular Weight | 74.123 g/mol🔬 EPA CompTox |
| Density | 0.814 g/cm^3🔬 EPA CTX |
| Boiling Point | 117.666 °C🔬 EPA CTX |
| Melting Point | -84.814 °C🔬 EPA CTX |
| Flash Point | 33.934 °C🔬 EPA CTX |
| Refractive Index | 1.396 Dimensionless📊 OPERA |
| Molar Volume | 92.069 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.212 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.842 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.842 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.19 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.959 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 7.375 mmHg🔬 EPA CTX |
| Viscosity | 2.541 cP📊 OPERA |
| Surface Tension | 25.961 dyn/cm📊 OPERA |
| Thermal Conductivity | 151.381 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 | 22.115 cm^3/mol📊 OPERA |
| Polarizability | 8.767 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.
