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Benzyldimethyldecylammonium chloride

PESTANAL®, analytical standard

Synonym(s):

Benzyldecyldimethylammonium chloride

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About This Item

Linear Formula:
CH3(CH2)9N(Cl)(CH3)2CH2C6H5
CAS Number:
965-32-2
Molecular Weight:
311.93
Beilstein/REAXYS Number:
3578562
EC Number:
213-521-5
MDL number:
MFCD00270130
UNSPSC Code:
77101502
PubChem Substance ID:
329756356
NACRES:
NA.24

grade

analytical standard

Quality Level

100

product line

PESTANAL®

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤5.0% water

application(s)

cleaning products
cosmetics
food and beverages
forensics and toxicology
personal care
veterinary

format

neat

storage temp.

2-8°C

SMILES string

[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1

InChI

1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1

InChI key

TTZLKXKJIMOHHG-UHFFFAOYSA-M

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General description

Benzyldimethyldecylammonium chloride belongs to the benzalkonium (BAC) group of quaternary ammonium compounds (QACs). It is widely used as an antibacterial and antifungal agent for disinfection purposes.[1]

Application

Benzyldimethyldecylammonium chloride may be used as an analytical reference standard for the determination of the analyte in grapefruit seed extracts,[2] milk samples[3] and food products[4] by chromatography based techniques.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

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Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ0536
BCCG7669
BCCB3775
BCBW2684

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Michel van Bruijnsvoort et al.
Journal of AOAC International, 87(4), 1016-1020 (2004-08-07)
A liquid chromatography-tandem mass spectrometry method has been developed for the determination of residues of alkylbenzyldimethylammonium, didecyldimethylammonium, didodecyldimethylammonium, and benzyldodecylhydroxyethylammonium compounds in various food matrixes. These quaternary ammonium compounds (QAs) are used in the food industry as disinfectants. According to
Determination of Benzalkonium Homologues and Didecyldimethylammonium in Powdered and Liquid Milk for Infants by Hydrophilic Interaction Liquid Chromatography--Mass Spectrometry
Bertuzzi T and Pietri A
Food Analytical Methods, 7(6), 1278-1284 (2014)
Identification of existing and emerging chemical residue contamination concerns in milk
Danaher M and Jordan K
Irish Journal of Agricultural and Food Research, 173-183 (2013)
G Takeoka et al.
Journal of agricultural and food chemistry, 49(7), 3316-3320 (2001-07-17)
Commercial grapefruit seed extracts (GSE) were extracted with chloroform. The solvent was evaporated, and the resulting solid was subsequently analyzed by high-performance liquid chromatography, electrospray ionization mass spectrometry, nuclear magnetic resonance (NMR) spectroscopy, and elemental analysis (by proton-induced X-ray emission

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