6316-04-7

Basic information

• Product Name: Acetic acid, chloro-, dodecyl ester
• Synonyms: Acetic acid, chloro-, dodecyl ester;Chloroacetic acid dodecyl ester
• CAS NO: 6316-04-7
• Molecular Formula: C₁₄H₂₇ClO₂
• Molecular Weight: 0
• Mol File: 6316-04-7.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 303°C at 760 mmHg
• Flash Point: 168.7°C
• Appearance: /
• Density: 0.957g/cm³
• Vapor Pressure: 0.000959mmHg at 25°C
• Refractive Index: 1.448
• CAS DataBase Reference: Acetic acid, chloro-, dodecyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, chloro-, dodecyl ester(6316-04-7)
• EPA Substance Registry System: Acetic acid, chloro-, dodecyl ester(6316-04-7)

Safety Data

• Hazardous Substances Data: 6316-04-7(Hazardous Substances Data)

Usage

Description

Acetic acid, chloro-, dodecyl ester, also known as Dodecyl Chloroacetate, is an organic compound that serves as an intermediate in the synthesis of various chemicals. It is characterized by its chloroacetic acid functional group and a long dodecyl chain, which contributes to its properties and applications in different industries.

Uses

Used in Surfactant Industry:
Acetic acid, chloro-, dodecyl ester is used as an intermediate in the synthesis of Sodium Lauryl Sulfoacetate (S634303) for its role in creating new surfactants with enhanced properties. These surfactants, such as sodium cocoyl threoninate and sodium cocoyl glutamate, offer outstanding mildness, moisturization properties, and good foaming ability, making them suitable for various applications in the surfactant industry.
Used in Personal Care Industry:
The mildness and moisturization properties of the surfactants derived from Acetic acid, chloro-, dodecyl ester make them ideal for use in the personal care industry. These surfactants can be incorporated into products like shampoos, body washes, and other cleansing products to provide a gentle and hydrating experience for the user.
Used in Detergent Industry:
The good foaming ability of the surfactants synthesized using Acetic acid, chloro-, dodecyl ester makes them suitable for use in the detergent industry. These surfactants can be used in the formulation of laundry detergents, dishwashing liquids, and other cleaning products to enhance their cleaning performance and user experience.

InChI:InChI=1/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3

Upstream product

• 112-53-8 1-dodecyl alcohol 
• 22128-62-7 carbonochloridic acid, chloromethyl ester 
• 79-04-9 chloroacetyl chloride 
• 79-11-8 chloroacetic acid 

Downstream Products

• 30100-47-1 1-Dimethylamino-2--aethan-chlorid 
• 4303-67-7 1-dodecylimidazole 
• 66856-30-2 lauryl L-2-[3-(3,4-dihydroxyphenyl)-2-benzyloxycarbonylamino-2-methylpropionyloxy]-acetate 
• 121150-43-4 N,N-dimethylamino-acetate 1-dodecyl ester 
• 3818-69-7 1,6-Bis--hexan-dichlorid 
• 2629-75-6 carbododecyloxymethyltrimethylammonium chloride 
• 102310-48-5 n-dodecyl phenoxyacetate 
• 87297-97-0 N-benzyl-N-dodecyloxycarbonylmethyl-N,N-dimethylammonium chloride 
• 5338-48-7 1-dodecyloxycarbonylmethyl-1-methyl-piperidinium; chloride 

Relevant articles and documents

Self-Aggregation and liquid crystalline behavior of new ester-functionalized quinuclidinolium surfactants

A new type of ester-based cationic surfactant having a quinuclidinolium headgroup has been synthesized starting from linear fatty alcohols and has been characterized using spectroscopic techniques. The self-Aggregation and thermodynamic properties of these surfactants have been investigated by pendant-drop surface tensiometry and conductivity measurements. The liquid crystalline behaviors of these surfactants were investigated by small-Angle X-ray scattering (SAXS) technique. The quinuclidinolium headgroup demonstrated a unique ability to interlock among themselves thus affecting the physicochemical properties of surfactants in aqueous solution. The current research finding supports the new concept of headgroup interlocking which is supported by 1D and 2D NMR studies.

The inhibition performance of morpholinium derivatives on corrosion behavior of carbon steel in the acidized formation water: Theoretical, experimental and biocidal evaluations

The aim of the present study is to synthesis and explore the inhibition influences of three morpholinium cationic surfactants (coded: MCS-10, MCS-12, and MCS-14) on the carbon steel corrosion in petroleum wells formation water containing 3 M HCl solution at different temperatures. The chemical structures of the synthesized compounds were confirmed by FTIR, 1HNMR analysis. The surface properties of the surfactants were investigated via the surface tension measurements. Inhibition efficiencies obtained from weight loss were in good agreement and they were up to 92.2, 92.8, and 93.1% for MCS-10, MCS-12, and MCS-14, respectively. The effect of temperature on the corrosion behavior of mild steel was studied in the range of 298–343 K. Villamil adsorption isotherm was found to be the more fitted model for the adsorption process description. Also, the biocidal activity for the synthesized morpholinium surfactants was studied. The parameters of DFT and molecular dynamic simulation were found adequately correlated with the obtained experimental results. Surface morphology study through scanning electron microscope (SEM) analysis showed a significant improvement on the surface morphology of the steel plate in the presence of MCS-14 in the corrosive solution.

Functionalized imidazolium-based ionic liquids: biological activity evaluation, toxicity screening, spectroscopic, and molecular docking studies

A series of long-chain imidazolium-based ionic liquids (ILs) 1-dodecyl-3-methylimidazolium chloride (1), 1,3-bis(octyloxycarbonylmethyl)imidazolium chloride (2) and 1-dodecyloxycarbonylmethyl-3-methyloxycarbonylmethylimidazolium chloride (3), were synthesized and evaluated as antimicrobials against a wide range of bacteria and fungi. Toxicological risks of selected compounds were assessed using the biomodels of various organizational and functional levels. All compounds demonstrated significant antibacterial and antifungal activity. The toxicity results indicate that ILs containing an ester functional group in the alkyl side chain exhibited much lower toxicity to D. magna and acetylcholinesterase inhibition than ILs with long alkyl chain without polar substituents, while toxicity toward Danio rerio was on a par. The HSA-binding properties of ILs have been investigated by FT-IR spectroscopy technique and the evidences have suggested that the test compounds could induce the protein unfolding and changes in the secondary structure of HSA. The docking studies were carried out to provide structural insights of the ILs–HSA-binding interactions. The docked compounds exhibit a high binding affinity to HSA and the hydrogen bonding, hydrophobic and electrostatic interactions played a major role in the process. ILs 2 and 3 may be perspective for further investigation as potential low-toxic biocides with high antimicrobial activity against reference and clinical multidrug-resistant strains.