ChemicalBook--->CAS DataBase List--->63449-41-2

63449-41-2

63449-41-2 Structure

63449-41-2 Structure
IdentificationBack Directory
[Name]

BENZALKONIUM CHLORIDE
[CAS]

63449-41-2
[Synonyms]

BAK
BAC
BKC
48%
roccal
geramine
konium chL
HYAMINE 3500
BenzalkoniuM c
tret-o-litexc511
ZEPHIRAN CHLORIDE
Benzalkonium chloride,95%
BenzalkoniuM Chloride 
Benzalkonium Chloride (BKC)
Benzalkonium chloride (Tech)
Benzalkonium chloride,100ppm
BENZALKONIUM CHLORIDE BIOXTRA
Benzalkonium Chloride 50%,80%
BENZALKONIUM CHLORIDE, PH EUR
BENZALKONIUM CHLORIDE USP/EP/BP
BENZALKONIUM CHLORIDE SIGMAULTRA
BenzalkoniuM chloride >=95.0% (T)
Benzalkonium chloride 98.5% USP EP
Benzalkonium Chloride 10% Solution
BENZALKONIUM CHLORIDE, 50% IN WATER
BENZYLDIMETHYLALKYLAMMONIUM CHLORIDE
benzyl-decyl-dimethylazanium chloride
BenzalkoniuM Chloride, MultiPharM (TM)
BENZALKONIUM CHLORIDE 50% H2O SOLUTION
BENZALKONIUM CHLORIDE 50% W/W AQ. SOLN.
ALKYLBENZYLDIMETHYLAMMONIUM CHLORIDE(50
Benzalkonium chloride, 98%, reagent grade
benzyldimethyl(mixedalkyl)ammoniumchloride
C12-C14ALKYLDIMETHYLBENZYLAMMONIUMCHLORIDE
C8-18-Alkylbenzyldimethylammonium chloride
benzyl C8-18 alkyldimethylammonium chloride
Benzyl-C8-18-alkyldimethylammoniumchlorides
Benzalkonium chloride Benzalkonium chloride
alkyl(c14-16)dimethylbenzyl-ammoniuchlorides
BenzalkoniuM chloride (50% aqueous solution)
BENZALKONIUM CHLORIDE SOLUTION, ~50% IN WATER
decyl-dimethyl-(phenylmethyl)azanium chloride
N-Benzyl-N,N-dimethyl-1-decanaminium chloride
BenzalkoniuM chloride, 50 wt.% solution in H2O
BENZALKONIUM CHLORIDE: 50% W/W AQUEOUS SOLUTION
Alkyl (C14-C16) dimethylbenzyl ammonium chloride.
Benzalkonium chloride solution, 50 wt. % in water
BENZALKONIUM CHLORIDE SOLUTION, 50 % INWATER, PH EUR
Alkyl(68%C12,32%C14) dimethyl benzyl ammonium chloride
BENZALKONIUM CHLORIDE 50% H2O SOLUTION BKC 50%
BenzalkoniuM chloride solution >=50% (via Cl), 50% in H2O
Benzyldimethylalkylammonium Chloride solution,50% in water
Quaternaryammoniumcompounds,benzyl-C8-18-alkyldimethyl,chlorides
Alkylbenzyldimethylammonium chloride, Benzalkonii chloridi solutio
BKC Powder 99% cas 8001-54-5 63449-41-2 68424-85-1 68391-01-5 55963-06-9
Alkyldimethylbenzylammonium Chloride Benzyldimethylalkylammonium Chloride
Alkylbenzyldimethylammonium chloride, Alkyldimethylbenzylammonium chloride
Benzalkonium Chloride Powder 99% cas 8001-54-5 63449-41-2 68424-85-1 68391-01-5 55963-06-9
Alkylbenzyldimethylammonium chloride, Alkyldimethylbenzylammonium chloride, Benzalkonii chloridum
[EINECS(EC#)]

264-151-6
[Molecular Formula]

C17H30ClN
[MDL Number]

MFCD00050250
[MOL File]

63449-41-2.mol
[Molecular Weight]

283.88
Chemical PropertiesBack Directory
[Melting point ]

-5°C
[Boiling point ]

100°C
[density ]

0,989 g/cm3
[vapor pressure ]

130 mPa @ 20°C
[Fp ]

>100°C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

semisolid
[color ]

Pale yellow
[PH Range]

6 - 9
[biological source]

synthetic
[Water Solubility ]

Miscible with water, methanol and acetone.
[Merck ]

14,1059
[BRN ]

4062599
[Stability:]

Hygroscopic
[Major Application]

liquid formulation
ophthalmics
parenterals
pharmaceutical
semi-solid formulation
[Cosmetics Ingredients Functions]

SURFACTANT - DISPERSING
ANTIMICROBIAL
PRESERVATIVE
DEODORANT
ANTISTATIC
[Cosmetic Ingredient Review (CIR)]

Benzalkonium Chloride (63449-41-2)
[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
[InChIKey]

TTZLKXKJIMOHHG-UHFFFAOYSA-M
[SMILES]

[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
[EPA Substance Registry System]

Quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides(63449-41-2)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302+H312-H314-H400
[Precautionary statements ]

P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C,N
[Risk Statements ]

21/22-34-50
[Safety Statements ]

36/37/39-45-61-60-26
[RIDADR ]

UN 2923 8/PG 3
[WGK Germany ]

3
[RTECS ]

BO3151000
[F ]

3-9
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

34021200
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
[Toxicity]

LD50 oral in mouse: 150mg/kg
Hazard InformationBack Directory
[Description]

Benzalkonium chlorides (BACs), also known as alkyl dimethyl benzyl ammonium chlorides, alkyl dimethyl (phenylmethyl) quaternary ammonium chlorides, ammonium alkyl dimethyl (phenylmethyl) chlorides, or ammonium alkyl dimethyl benzyl chlorides, are a class of quaternary ammonium compounds (QACs).They are usually commercialized as a mixture of compounds with different lengths for the alkyl chain, ranging from C8 to C18, with higher biocide activity for C12 and C14 derivatives.
[Chemical Properties]

White to light yellow liquid
[History]

Benzalkonium chlorides were reported for the first time in 1935 by Gerhard Domagk, gaining the market as zephiran chlorides, and were marketed as promising and superior disinfectant and antiseptics (2). In 1947, the first product containing BACs was registered with the Environmental Protection Agency (EPA) in the United States.
[Uses]

Cationic surface active agentBenzalkonium chloride is used in textile dyeing, softeners, antistatic agents, emulsifiers and conditioner. It acts as a cationic detergent. It is also used as a preservative in pharmaceutical products like eye, ear and nasal drops and sprays. Further, it is an active ingredient in personal care products such as hand sanitizers, shampoos, deodorants and wet wipes. In addition to this, it is used in a study to assess its action on epithelia conjunctival cells in vitro.
[General Description]

Colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste.
[Air & Water Reactions]

Water soluble.
[Reactivity Profile]

BENZALKONIUM CHLORIDE is incompatible with anionic detergents and nitrates.
[Fire Hazard]

Flash point data for BENZALKONIUM CHLORIDE are not available, but BENZALKONIUM CHLORIDE is probably combustible.
[Synthesis]

Cetyl dimethyl tertiary amine: 20 mol (5.39 kg);
Benzyl chloride: 20 mol (2.53kg);
Thiourea: 30 mol (2.28kg);
Ethyl acetate: 100 L.
The synthesis process is as follows: mix cetyl dimethyl tertiary amine, benzyl chloride and thio

Spectrum DetailBack Directory
[Spectrum Detail]

BENZALKONIUM CHLORIDE(63449-41-2)FT-IR
BENZALKONIUM CHLORIDE(63449-41-2)Raman
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