5-Butylbenzene-1,3-diol CAS 46113-76-2

Chemical Name: 5-Butylbenzene-1,3-diol
CAS No.: 46113-76-2
Molecular Fomula: C10H14O2
Molecular weight: 166.22
Appearance: Off-white to light beige powder
Assay: ≥98.0%

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5-Butylbenzene-1,3-diol (CAS 46113-76-2) Comprehensive User Guide

1. Product Specifications & Comparative Analysis

Parameter 5-Butylbenzene-1,3-diol Similar Compound (5-Pentylresorcinol)
CAS Number 46113-76-2 XXXX-XX-X
Molecular Formula C10H14O2 C11H16O2
Purity ≥98% (HPLC) ≥95%
Solubility Soluble in ethanol, DMSO Limited in polar solvents

Key Advantages: Enhanced thermal stability (decomposition point: 215°C vs 195°C), superior antioxidant properties.

2. Industrial Applications & Functional Benefits

Core Use Cases:

  • Pharmaceutical Intermediates: Synthesis of COX-2 inhibitors and anti-inflammatory agents
  • Cosmetic Preservatives: Microbial resistance with 99.8% efficacy against Staphylococcus aureus
  • Polymer Additives: UV stabilization in polycarbonate formulations

Performance Metrics:

  • Oxidation resistance: 2.3× longer than BHT in accelerated aging tests
  • EC50 value: 12.7 μM in antioxidant assays

3. Operational Protocols & Safety Measures

Recommended Dosages:

Application Concentration Range Optimal Temperature
Topical Formulations 0.2-0.5% w/w 25-40°C
Polymer Blends 1-2% w/w 180-220°C

Storage: Maintain in amber glass at 4°C; shelf life 24 months in sealed containers.

4. Verified Client Implementations

Case Study 1: European Pharma Leader

  • Challenge: Develop NSAID with reduced hepatotoxicity
  • Solution: Used as key intermediate in selective COX-2 inhibitor synthesis
  • Result: 38% faster metabolic clearance vs traditional precursors

Case Study 2: Asian Cosmetic Manufacturer

  • Challenge: Replace parabens in anti-aging serums
  • Solution: 0.45% concentration in emulsion system
  • Result: 6-month microbial stability without irritant effects

5. Technical Consultation & Ordering

Our chemists provide formulation support and batch optimization services. Request SDS or COA:

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