Dodecyltrimethylammonium bromide

Catalog Number	ACM1119944-4
CAS	1119-94-4
Structure
Synonyms	n-Dodecyl trimethylammonium bromide; N,N,N-trimethyl-1-dodecanaminium bromide
IUPAC Name	dodecyl(trimethyl)azanium;bromide
Molecular Weight	308.34
Molecular Formula	C15H34BrN
Canonical SMILES	CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI	InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChI Key	XJWSAJYUBXQQDR-UHFFFAOYSA-M
Melting Point	246 °C
Flash Point	246°C
Purity	99%
Solubility	water, 995.5 mg/L @ 25 °C (est)
Appearance	White crystal powder
Application	Dodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
Storage	Store below +30°C.
Complexity	135
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
EC Number	214-290-3
Exact Mass	307.18746
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)C.[Br-]
MDL Number	MFCD00011767
Monoisotopic Mass	307.18746
Physical State	Powder
Rotatable Bond Count	11
Stability	Stable under normal temperatures and pressures.
Storage Conditions	Room temperature
Topological Polar Surface Area	0 Ų

Knowledge & Learning Case Study Q&A

Dodecyltrimethylammonium Bromide for the Preparation of Supramolecular Self-assembled Aggregates

Meng Q, et al. Journal of Renewable Materials, 2024, 12(4), 629-641.

Dodecyltrimethylammonium bromide (DTAB) is a cationic surfactant widely used in various applications due to its self-assembly properties in aqueous solutions. DTAB, in combination with sodium dodecyl sulfate (SDS) and epoxy-β-cyclodextrin (EP-β-CD), exhibits distinct self-assembly behaviors resulting in the formation of worm-like micelles at lower temperatures and vesicles at higher temperatures. The hydrogen bonding between EP-β-CD molecules and the crucial role of water molecules in vesicle formation underline the complex interactions within the system.
Preparation of Supramolecular Self-Assembled Aggregates
The preparation process of these supramolecular aggregates involved the following steps:
Mixed Surfactant Solution: A mixed surfactant solution of SDS and DTAB in a molar ratio of 3:1 (C_total = 10 mmol/L) was prepared.
Addition of EP-β-CD: A 16 mmol/L EP-β-CD aqueous solution was added to the mixed surfactant system at a host-guest ratio of 2:1, ensuring uniform dispersion of EP-β-CD.
Incubation: The mixture was incubated at 15°C, 25°C, and 35°C for 24 hours to reach equilibrium.
Potential Applications
The ability of the SDS/DTAB@EP-β-CD complex to form different morphologies at varying temperatures provides a foundation for developing innovative delivery carriers. The temperature-induced morphological transformations can be leveraged to design systems for targeted delivery and controlled release in pharmaceutical and other industrial applicatio

Binary Mixed Micelles Formed by Dodecyltrimethylammonium Bromide and Sodium Cholate in Aqueous NaCl Solution

Guha A, et al. Journal of Molecular Liquids, 2023, 371, 121085.

Dodecyltrimethylammonium bromide is a cationic surfactant that can form binary mixed micelles with sodium cholate (SC) in aqueous NaCl solution. The study investigates the formation of binary mixed micelles of SC with DTAB in an aqueous NaCl solution (0.300 mol/kg). Key findings include:
Contact and Interaction: The 2D ROESY spectrum indicates that the SC steroid skeleton interacts via its convex surface with the hydrophobic core of the micelle. Cross peaks in the spectrum suggest the spatial proximity of the SC carboxylate group and the cationic heads of DTAB, pointing to attractive electrostatic interactions.
Synergistic Interactions: The mixed micelles exhibit synergistic interactions between the structurally different surfactants, SC and DTAB.
Gibbs Free Energy and Margules Function
Molar Excess Gibbs Free Energy: The dependence of the molar excess Gibbs free energy on the mole fraction of the surfactant in the binary micellar pseudo phase is described using the symmetric first-order Margules function.
Theoretical Considerations: The first-order Margules function describes the dependence of Gibbs free energy based on the number of microstates in the binary mixed micellar pseudophases. This can be approached by either the random mixing of structurally different surfactants (as in HDTAB-SC) or by compensating molar excess configurational entropy with molar excess conformational entropy (as in DTAB-SC).
Mechanism of Self-Assembly
The mechanism of self-assembly in the DTAB-SC system is influenced by the specific interactions and thermodynamic properties:
Electrostatic Interactions: The electrostatic attractions between the SC carboxylate group and the DTAB cationic heads play a crucial role in the stability and formation of mixed micelles.
Entropy Compensation: The DTAB-SC system demonstrates a departure from random mixing at the atomic level, compensated by molar excess conformational entropy, indicating a complex balance of entropic factors driving micelle formation.
Conclusion
Dodecyltrimethylammonium bromide (DTAB), when mixed with sodium cholate (SC) in an aqueous NaCl solution, forms binary mixed micelles characterized by strong electrostatic interactions and synergistic behavior. The self-assembly process is governed by the interplay of configurational and conformational entropy, as described by the first-order Margules function.

Dodecyltrimethylammonium bromide as an anodic inhibitor for Zn electrodes in KOH solution

Liu K, et al. Materials Chemistry and Physics, 2017, 199, 73-78.

Dodecyltrimethylammonium bromide (DTAB) is an effective anodic inhibitor for zinc electrodes in potassium hydroxide (KOH) solution. By adsorbing onto the zinc surface and forming a protective layer, DTAB significantly reduces corrosion and improves electrode performance. The positive shift in passivation and anodic dissolution potentials further highlights DTAB's role in enhancing the stability of zinc electrodes. This study underscores the potential of DTAB in applications requiring effective corrosion inhibition and improved electrode efficiency.
Experimental
The study employed various electrochemical techniques to evaluate the efficacy of DTAB as a corrosion inhibitor.
Tafel Polarization Curves: Used to determine the corrosion inhibition efficiency and the type of inhibitor.
Linear Sweep Voltammetry: Assessed the passivation and anodic dissolution behavior.
Electrochemical Impedance Spectroscopy (EIS): Provided insights into the electrochemical processes and surface characteristics.
Field Emission Scanning Electron Microscopy (FE-SEM): Examined the morphological changes on the zinc electrode surface.
Findings
Corrosion Inhibition: DTAB significantly inhibited the corrosion of the zinc electrode in KOH solution. The Tafel polarization curves indicated that DTAB functions as an anodic-type inhibitor. The adsorption of DTAB on the zinc electrode surface follows the Freundlich isotherm, suggesting a multilayer adsorption mechanism.
Efficiency: The study found that the highest corrosion inhibition efficiency of DTAB reached 80.2% at a concentration of 0.07 wt%. This high level of inhibition is attributed to the adsorption of DTAB molecules on the zinc surface, which reduces the active sites available for corrosion.
Passivation and Anodic Dissolution: In the presence of DTAB, both the potentials of passivation and the anodic dissolution current peak shifted positively. This indicates that the passivation process of the zinc electrode was delayed, reducing the rate of anodic dissolution.
Surface Analysis: EIS tests and FE-SEM analysis revealed that DTAB's adsorption and moisture retention properties contributed to the formation of a uniform and fluffy protective layer on the zinc electrode surface. This protective layer improved the diffusion rate of ions, enhancing the utilization of the zinc electrode.

What is the molecular formula of Dodecyltrimethylammonium Bromide?

The molecular formula of Dodecyltrimethylammonium Bromide is C15H34BrN.

What is the molecular weight of Dodecyltrimethylammonium Bromide?

The molecular weight of Dodecyltrimethylammonium Bromide is 308.34 g/mol.

What are some synonyms of Dodecyltrimethylammonium Bromide?

Some synonyms of Dodecyltrimethylammonium Bromide include DTAB, Dctab, and Laurtrimonium bromide.

What is the role of Dodecyltrimethylammonium Bromide?

Dodecyltrimethylammonium Bromide has a role as a surfactant.

What is the IUPAC name of Dodecyltrimethylammonium Bromide?

The IUPAC name of Dodecyltrimethylammonium Bromide is dodecyl(trimethyl)azanium;bromide.

What is the InChIKey of Dodecyltrimethylammonium Bromide?

The InChIKey of Dodecyltrimethylammonium Bromide is XJWSAJYUBXQQDR-UHFFFAOYSA-M.

What is the Canonical SMILES of Dodecyltrimethylammonium Bromide?

The Canonical SMILES of Dodecyltrimethylammonium Bromide is CCCCCCCCCCCC[N+](C)(C)C.[Br-].

What is the CAS number of Dodecyltrimethylammonium Bromide?

The CAS number of Dodecyltrimethylammonium Bromide is 1119-94-4.

How many Rotatable Bond Count does Dodecyltrimethylammonium Bromide have?

Dodecyltrimethylammonium Bromide has 11 Rotatable Bond Count.

What is the topological Polar Surface Area of Dodecyltrimethylammonium Bromide?

The topological Polar Surface Area of Dodecyltrimethylammonium Bromide is 0-2.

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Dodecyltrimethylammonium bromide (1119-94-4)

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