Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides (CAS 68424-85-1) — Green N/A Note Fragrance Ingredient
Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides
CAS 68424-85-1
What Is Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides?
Quaternary ammonium compounds are synthetic chemicals primarily used as disinfectants and surfactants in cleaning products. You’ll find them in household disinfectants, fabric softeners, and industrial cleaners. These compounds are valued for their antimicrobial properties, effectively killing bacteria and viruses on surfaces. Their cationic nature makes them excellent for softening fabrics and providing antistatic effects in laundry products.
Safety Profile
PROFESSIONAL USEWhat Does Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides Smell Like?
Quaternary ammonium compounds typically have a faint, clean, soapy odor with subtle fatty undertones. The scent is often described as mildly antiseptic, reminiscent of hospital disinfectants. Some variants may carry a slight ammonia-like sharpness. The odor profile is generally not complex, remaining relatively static without significant top or base note evolution.
2D Molecular Structure
SMILES: [Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 |c:18,20,t:16,lp:0:4,LN:12:1.5|
Chemistry, Properties & Perfumer Guide
The Chemistry
Quaternary ammonium compounds (QACs) are positively charged organic nitrogen compounds where the nitrogen atom is bonded to four organic groups. The benzyl-C12-16-alkyldimethyl chlorides are a class of QACs with a benzyl group and long alkyl chains (C12-16). These compounds are synthesized through the alkylation of tertiary amines with benzyl chloride. Their antimicrobial activity stems from their ability to disrupt microbial cell membranes through electrostatic interactions with negatively charged phospholipids.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in water and polar organic solvents |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Disinfectants | 0.1-5% | Up to 10% | Effective antimicrobial concentration |
| Fabric Softeners | 3-8% | Up to 15% | Cationic surfactant for softening |
Classic Accords
Tip: Not typically used in perfumery due to functional rather than olfactory properties.
Alternatives & Comparisons
A more commonly used QAC with similar antimicrobial properties but different alkyl chain distribution.
Offers broader antimicrobial spectrum with lower irritation potential in some applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA as it’s not used in fragrance applications.
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not a fragrance material.
Sustainability
QACs are persistent in the environment and can accumulate in wastewater systems. Some concerns exist about microbial resistance development. Biodegradable alternatives are being developed, but currently most commercial QACs show limited environmental degradation. Proper disposal and wastewater treatment are important considerations.
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References
- Zhang et al. (2015). Quaternary Ammonium Compounds (QACs). Environmental Science & Technology. DOI: 10.1021/acs.est.5b02413
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6028492
Physical Properties
| Boiling Point | 325 °C📊 OPERA |
| Melting Point | 122 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.78 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | -0.95 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.89 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.42 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 13 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
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.
