Butyl p-hydroxy benzoate (CAS 94-26-8) — Balsamic N/A Note Fragrance Ingredient
Butyl p-hydroxy benzoate
CAS 94-26-8
What Is Butyl p-hydroxy benzoate?
Butyl p-hydroxy benzoate is a synthetic preservative commonly found in cosmetics, pharmaceuticals, and some food products. It helps prevent microbial growth and extends shelf life. While not primarily used for fragrance, it can contribute subtle phenolic notes in formulations where preservation and scent overlap.
Safety Profile
USE WITH AWARENESSWhat Does Butyl p-hydroxy benzoate Smell Like?
Butyl p-hydroxy benzoate presents a faint medicinal-phenolic character with waxy undertones. The aroma is clean but antiseptic, reminiscent of hospital corridors with a barely perceptible floral nuance. Unlike traditional fragrance materials, its scent profile remains linear without evolution, serving more functional than olfactory purposes in formulations.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCCCOC(=O)C1=CC=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This compound belongs to the paraben ester family, synthesized through esterification of p-hydroxybenzoic acid with butanol. While parabens occur naturally in some plants, commercial production is entirely synthetic. The butyl ester provides moderate lipophilicity compared to methyl and propyl variants, balancing antimicrobial efficacy with solubility characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Cosmetics | 0.1-0.8% | Up to 1% | Preservative system component |
| Pharmaceuticals | 0.05-0.3% | Regulated limits | Multi-purpose preservative |
Classic Accords
Tip: Use in conjunction with other preservatives for broad-spectrum protection without exceeding safe levels.
Alternatives & Comparisons
Shorter chain paraben with higher water solubility for different formulation requirements.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA – primarily regulated as preservative rather than fragrance ingredient.
GHS Classification
RIFM Assessment
Evaluated primarily for preservative use rather than fragrance applications.
Sustainability
Synthetic production avoids agricultural land use but requires petrochemical feedstocks. Paraben controversy has led to reduced usage despite proven efficacy, driving formulation changes across industries.
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Physicochemical Properties
DTXSID: DTXSID3020209
Physical Properties
| Molecular Weight | 194.23 g/mol🔬 EPA CompTox |
| Density | 1.258 g/cm^3🔬 EPA CTX |
| Boiling Point | 333.5 °C🔬 EPA CTX |
| Melting Point | 69.113 °C🔬 EPA CTX |
| Flash Point | 155.175 °C🔬 EPA CTX |
| Refractive Index | 1.526 Dimensionless📊 OPERA |
| Molar Volume | 175.276 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.57 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.372 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.316 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.64 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 13.372 cP📊 OPERA |
| Surface Tension | 39.904 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.343 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 46.53 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.806 cm^3/mol📊 OPERA |
| Polarizability | 21.33 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.
