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BENZALKONIUM CHLORIDE

CAS：63449-41-2
MW:283.88
MF：C17H30ClN

Colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: BENZALKONIUM CHLORIDE

1.2 Synonyms: ALKYLBENZYLDIMETHYLAMMONIUM CHLORIDE(50; BENZALKONIUM CHLORIDE SIGMAULTRA; BENZALKONIUM CHLORIDE, PH EUR; Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride; Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (1:1); Benzyl-C8-18-alkyldimethylammonium chlorides; benzyldimethyl(mixedalkyl)ammoniumchloride; EINECS 264-151-6; MFCD00145757; N-Benzyl-N,N-dimethyl-1-decanaminium chloride; N-benzyl-N,N-dimethyldecan-1-aminium chloride; Quaternaryammoniumcompounds,benzyl-C8-18-alkyldimethyl,chlorides; roccal; Sore throat. Sore throat. Cough. Laboured breathing. Redness. Skin burns. Pain. Redness. Pain. Blurred vision. Severe deep burns.; ZEPHIRAN CHLORIDE;

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1.3 CAS No.: 63449-41-2

1.4 CID: 13762

1.5 EINECS: 264-151-6

1.6 Molecular Formula: C17H30ClN

1.7 Inchi: 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

1.8 InChkey: TTZLKXKJIMOHHG-UHFFFAOYSA-M

1.9 Canonical Smiles: [Cl-].CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

1.10 Isomers Smiles: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

2. Properties

2.1 Appearance: Benzyldimethyl(mixed alkyl)ammonium chloride appears as colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste. (NTP, 1992)

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White to light yellow liquid

2.4 Color/Form: Pale yellow

2.5 Physical: BENZYLDIMETHYLAMINE; is a colorless to light yellow liquid with an aromatic odor. Slightly less dense than water; and slightly soluble in water;. Corrosive to skin, eyes and mucous membranes. Slightly toxic by ingestion, skin absorption and inhalation. Used in the manufacture of adhesives and other chemicals.

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2.6 Water Solubility: Miscible with water, methanol and acetone.

2.7 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Description

White to light yellow liquid

Benzyldimethyl(mixed alkyl)ammonium chloride appears as colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste. (NTP, 1992)|HYGROSCOPIC WHITE-TO-YELLOW POWDER WITH CHARACTERISTIC ODOUR.

Benzyldimethyl(mixed alkyl)ammonium chloride appears as colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste. (NTP, 1992)

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3.2 General Description: Colorless or yellowish powder or gummy amber solid. Aromatic odor. Very bitter taste.

3.3 GHS Classification: Signal: Danger
GHS Hazard Statements
H226: Flammable liquid and vapor [Warning Flammable liquids]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P403+P235, P405, and P501

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4. Safety and Handling

4.1 Fire Hazard: Flash point data for BENZALKONIUM CHLORIDE are not available, but BENZALKONIUM CHLORIDE is probably combustible. BENZALKONIUM CHLORIDESupplier

4.2 Toxicity: Oral-Mouse LD50: 150 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H314 Causes severe skin burns and eye damage H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Computed Properties

Molecular Weight：283.88g/mol
Molecular Formula：C₁₇H₃₀ClN
Compound Is Canonicalized：True
XLogP3-AA：311.2379778
Monoisotopic Mass：311.2379778
Complexity：216
Rotatable Bond Count：11
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：0
Heavy Atom Count：：21
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint：AAADcfB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAADADBGAQyAIMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7.Other Information

Usage: 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.

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Usage: Benzalkonium chloride is a cationic surface active agent.It is used as a preservative in pharmaceutical products like eye, ear and nasal drops. It finds application in personal care products such as wet wipes, shampoos, hand sanitizers, deodorants and cosmetics. It is widely used in the chemical industry as a precipitant and emulsifier/de-emulsifier. It acts as corrosion inhibitor in the oil and gas industry pipeline by preventing the formation of sulfurous gases. It is also used in various non-consumer process like surgical disinfection.

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Merck: 14,1059

BRN: 4062599

Chemical Properties: White to light yellow liquid

Uses: Benzalkonium chloride has been used in a study to assess its action on epithelia conjunctival cells in vitro. It has also been used in a study to investigate its effects on living rabbit cornea by in vivo Tandem scanning confocal microscopy.

Reactive Group: Non-Redox-Active Inorganic Compounds

Reactivity Profile: BENZYLDIMETHYL(MIXED ALKYL)AMMONIUM CHLORIDE is incompatible with anionic detergents and nitrates. (NTP, 1992) Quaternary ammonium salts often serve as catalysts in reactions. They are incompatible with many strong oxidizers and reducing agents, such as metal hydrides, alkali/active metals, and organometallics.

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Storage features: Treasury is ventilated, low temperature and dry; stored separately from food materials

Fire Hazards: Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)|Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Nonfire Spill Response: SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

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Personal Protective Equipment: RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Spillage Disposal: Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into containers or absorb liquid in sand or inert absorbent and remove to safe place.

Safe Storage: Separated from food and feedstuffs. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.

Effects Of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. If a solution is swallowed, aspiration into the lungs may result in chemical pneumonitis.

Fire Prevention: NO open flames.

Inhalation Prevention: Use local exhaust or breathing protection.

Skin Prevention: Protective gloves. Protective clothing.

Eye Pprevention: Wear face shield.

First Aid

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Fresh air, rest. Fresh air, rest. Half-upright position. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

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Symptoms

Sore throat. Sore throat. Cough. Laboured breathing.

Redness. Skin burns. Pain.

Redness. Pain. Blurred vision. Severe deep burns.

Manufacturing Info: Quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides: ACTIVE|Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (1:1): INACTIVE

Uses

Benzalkonium chloride (BAC) can be used as:???????

A cationic surfactant in chemical polymerization reactions.???????
A phase-transfer catalyst for the quantitative determination of sulfide in the whole blood sample by extractive alkylation technique using GC-MS.??

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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.

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9. Related Questions

: What are the Characteristics and Applications of Benzalkonium Chloride?Introduction Benzalkonium chloride is a versatile chemical compound with broad-spectrum antimicrobial properties, making it a popular choice across various industries. As a quaternary ammonium compoun..; Is benzalkonium chloride similar to sodium chloride? This is benzalkonium chloride NaCl This is sodium chloride So obviously, benzalkonium chloride and sodium chloride are not the same.; Would it be okay to mix benzalkonium chloride and bleach?No, because benzalkonium chloride contains nitrogen. In principle, there are two things that you do not want to mix with bleach: Anything acidic.Anything containing nitrogen.Bleach is a basic solution..; Is it true that benzalkonium chloride causes antibiotic resistance?Yes! Yes! Yes! Benzalkonium chloride causes antibiotics resistance. There are several research has been done and the findings indicate that it causes antibiotics resistance: Here I am mentioning some ..

10. Realated Product Infomation