CAS 544-76-3 n-Hexadecane - Analytical Products / Alfa Chemistry

CAT	APS544763
CAS	544-76-3
Structure
Synonyms	n-Hexadecane, NSC 7334, S 6 (alkane), n-Cetane,Hexadecane, Cetane
IUPAC Name	hexadecane
Molecular Weight	226.44
Molecular Formula	C16H34
Canonical SMILES	CCCCCCCCCCCCCCCC
InChI	InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Accurate Mass	226.2661
Format	Neat
Shipping	Room Temperature
Storage Conditions	+20°C
Subcategory	Hydrocarbons and petrochemicals

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Case Study

n-Hexadecane for the Enhancement of Dioxin Bioremediation in Partitioning Bioreactors and Activated Sludge Systems

Wu, Yanan, et al. Journal of Cleaner Production 434 (2024): 140500.

n-Hexadecane, a long-chain hydrocarbon, has emerged as a functional non-aqueous phase liquid (NAPL) in bioremediation studies aimed at overcoming the poor bioaccessibility of hydrophobic pollutants such as dioxins. A recent investigation employed n-hexadecane as both a carrier phase and supplementary carbon source to improve the biodegradation of dibenzofuran, a model dioxin compound, by Rhodococcus sp. strain p52.
The experimental design incorporated n-hexadecane into two-phase partitioning bioreactors and bioaugmented activated sludge systems. At elevated concentrations (≥40 g/L), n-hexadecane significantly enhanced dibenzofuran removal by promoting extreme hydrophobicity of bacterial cell surfaces (>97%). This hydrophobic transformation facilitated strong adhesion of strain p52 to the NAPL, enabling efficient transfer of dibenzofuran from the organic phase to microbial cells.
Moreover, in activated sludge reactors, supplementation with n-hexadecane not only accelerated pollutant degradation but also supported aerobic granular sludge formation and improved sludge settling characteristics. Interestingly, the presence of n-hexadecane also promoted conjugative transfer of catabolic plasmids, potentially broadening the metabolic capacity of the microbial community.
These findings highlight n-hexadecane as a dual-function agent: serving as a partitioning medium to increase pollutant bioavailability and as a carbon source to strengthen microbial activity. This case study underscores the pivotal role of n-hexadecane in advancing strategies for the efficient bioremediation of recalcitrant dioxins and related hydrophobic contaminants.

n-Hexadecane for the Preparation of Form-Stable Composite Phase Change Materials in Building Applications

Mert, Hatice Hande, Hikmet Okkay, and Mehmet Selcuk Mert. Sustainable Energy Technologies and Assessments 50 (2022): 101836.

n-Hexadecane (n-HD), a paraffinic hydrocarbon, is widely recognized as an effective phase change material (PCM) due to its high latent heat storage capacity and phase transition stability. Recent studies have demonstrated the successful preparation of form-stable n-HD/zinc borate (ZB) composite PCMs for thermal energy storage in buildings, offering a pathway to reduce energy consumption in temperature regulation.
The preparation followed a systematic process:
1. Support Material Preparation: A porous polyHIPE composite matrix containing nano-sized zinc borate (PHP-ZB5) was fabricated and dried at 110 °C to remove structural moisture.
2. n-HD Incorporation: Molten n-hexadecane (1 wt% relative to solvent) was dissolved in ethanol (100 mL) and stirred at 300 rpm for 30 min.
3. Impregnation Process: The paraffin solution was poured onto the PHP-ZB5 matrix (60 wt% relative to paraffin) and homogenized using an ultrasonic bath at 35 °C for 30 min.
4. Stabilization and Drying: The mixture was mechanically stirred at 35 °C for 24 h, followed by vacuum drying at 80 °C until constant weight was achieved, yielding the final form-stable composite PCM (PHP-ZB5-HD).
Characterization confirmed that the composite PCM possessed enhanced thermal stability, high surface area, and superior heat storage performance, with a latent heat storage capacity of 123 J/g. The integration of ZB improved leakage resistance while increasing the heat storage rate.
This case underscores the potential of n-hexadecane as a core PCM in advanced composite materials, enabling efficient and sustainable thermal energy management for building applications.

n-Hexadecane for the Preparation of Poly(methyl methacrylate)/n-Hexadecane Microcapsules with Heat Storage Properties in Textiles

Alay, S., Alkan, C., & Göde, F. (2011). Thermochimica Acta, 518(1-2), 1-8.

n-Hexadecane (n-HD) is widely utilized as a phase change material (PCM) due to its suitable melting temperature and high latent heat capacity. In this study, poly(methyl methacrylate)/n-hexadecane (PMMA/n-HD) microcapsules were successfully prepared via oil-in-water emulsion polymerization, targeting energy storage applications in textile materials.
Experimental procedure was carefully optimized:
1. A mixture of distilled water (94 mL), n-hexadecane (25 g), and Triton X-100 surfactant (1 g) was stirred at room temperature, forming a stable dispersion.
2. Monomer (25 g), cross-linker (2.5 g ethylene glycol dimethacrylate or allyl methacrylate), FeSO₄·7H₂O solution (1 mL), and ammonium persulphate (0.25 g) were added. The system was emulsified at 2000 rpm for 30 min.
3. A redox initiation system comprising Na₂S₂O₃ (0.25 g) and tert-butyl hydroperoxide (1 g, 70%) was introduced, and polymerization proceeded at 90 °C under nitrogen, stirred at 1000 rpm. Reaction times of 3.5 h and 5 h were applied depending on the cross-linker.
4. Residual liquid was decanted, and the product was washed repeatedly and dried at 40 °C to obtain microcapsules.
The resulting PMMA/n-HD microcapsules exhibited mean diameters of 0.22-1.05 μm, with encapsulation efficiencies up to 61.42%. Thermal analysis revealed melting enthalpies between 68.89 and 145.61 J/g. When incorporated into woven fabrics via the pad-cure method, treated textiles displayed enthalpies of 3.14-10.02 J/g, demonstrating effective thermal regulation potential.
This case highlights the value of n-hexadecane as a core PCM for microencapsulation, advancing the development of functional textiles with energy-saving properties.