벤질디메틸(트리데실)암모늄클로라이드

Benzalkonium Chloride

HCID 3014024CAS 1641-93-6

기본 정보

표준 SMILES
CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
XIWFQDBQMCDYJT-UHFFFAOYSA-M
분자식
C22H40ClN
평균 분자량
354 g/mol
단동위원소 질량
353.284928

이름 및 식별자

우선 이름
Benzalkonium Chloride
IUPAC
benzyl-dimethyl-tridecylazanium chloride
현지명
벤질디메틸(트리데실)암모늄클로라이드
영어명
benzyldimethyl(tridecyl)ammonium chloride
분자식
C22H40ClN
분자량
354.0127

이름 및 동의어

pentoniumAlpagelleZephiranBenzalkonii chloridumCloruro de benzalconioChlorure de benzalkoniumNSC-758480CHEBI:3020FundamentalsGreenberryProsanitizeShieldplex
이름 더 보기
벤질디메틸(트리데실)암모늄클로라이드Benzyldimethyl(tridecyl)ammoniumchloridTridecyl dimethylbenzylammonium chloridebenzyl-dimethyl-tridecylazanium:chloridebenzyldimethyl(tridecyl)ammonium chlorideN-benzyl-N,N-dimethyltridecan-1-aminium chlorideBenzeneMethanaMiniuM, N,N-diMethyl-N-tridecyl-, chloride
ViraxshieldAquacilBecauseCaseysLavenderCleanseCompanionDaranjoDermacide

데이터베이스 식별자

CAS
1641-93-6、63449-41-2、8001-54-5
PubChem CID
3014024
DTXSID
DTXSID70936908
ChEMBL
CHEMBL502109
EC Number
216-695-0、616-786-9

물성

구조 계산 물성

극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
14
무거운 원자 수
24

실험 및 물리화학적 성질

OdorAmine odor
Density · 2건

0.9429 g/cu cm at 25 °C

0.9884 @ 25°C

Color/Form · 2건

Clear yellow to straw-colored liquid

White or yellowish-white, amorphous powder or gelatinous pieces

Solubility · 5건

Very soluble in alcohol, acetone; slightly soluble in benzene; almost insoluble in ether

Slightly soluble in benzene

1 G OF ANHYDROUS FORM DISSOLVES IN ABOUT 6 ML BENZENE, 100 ML ETHER

Very soluble in water

Solubility in water at 20 °C: good

DecompositionWhen heated to decomposition it emits very toxic fumes of /ammonia, hydrogen chloride and nitrogen oxides/.
Melting Point · 2건

241.02 °C

29-34 °C

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (24.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (69.4%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (17.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (71%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (55.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (11.5%): Fatal if inhaled [Danger Acute toxicity, inhalation];H332 (44.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H400 (54.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (10.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H411 (15.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 314 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Not Classified

유해성 정보

Regulatory Information · 4건

Chemical: Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

2002/2076

Benzalkonium chloride: HSNO Approval: HSR002952 Approved with controls

Other Safety Information · 1건

IMAP assessments - Benzalkyl quaternary ammonium surfactants: Environment tier II assessment;PEC / SN / Other assessments - Common skin sensitisers—hazard classification: Health;IMAP assessments - Cationic surfactants: Human health tier II assessment;Evaluation - Benzalkonium halides

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary · 1건

Sensitization is uncommon. Irritant responses may be seen at the concentrations used for patch testing (0.1%). Health care workers may develop contact dermatitis after handling cold sterilized instruments. [Marks, p. 265-267] Three cases of occupational asthma have been documented; [Reference #1] It causes irritant contact dermatitis, but may sensitize veterinarian, dental, and medical personnel; [Kanerva, p. 1754] Benzalkonium chloride is a rare skin sensitizer. Patch testing is difficult. Other quaternary ammonium compounds with rare or uncommon reports of sensitization include cetalkonium chloride (122-18-9), cetrimonium bromide (57-09-0), and dequalinium chloride (522-51-0); [Kanerva, p. 393] This surface-active, cationic detergent can have caustic effects on the GI tract if ingested. A lethal dose by ingestion of 100-400 mg/kg has been reported. [Olson, p. 193] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingested; Affected patients may have methemoglobinemia and hemolysis and die within 1-3 hours; No data on carcinogenicity or teratogenicity; [IPCS-PIMs]

EC ClassificationSymbol: C, N; R: 21/22-34-50; S: (2)-36/37/39-45-61
UN ClassificationUN Hazard Class: 6.1; UN Subsidiary Risks: 8; UN Pack Group: II

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide.
First Aid Measures · 4건

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.

Give one or two glasses of water to drink. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageSeparated from food and feedstuffs. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Fire Fighting Procedures · 3건

Alcohol foam, carbon dioxide, dry chemical, water fog.

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary.

Storage ConditionsStore in cool place. Keep container tightly closed in a dry and well-ventilated place. Hygroscopic. Store under inert gas.
Cleanup Methods · 3건

Personal precautions: Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation. Evacuate personnel to safe areas.

Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Methods for cleaning up: Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.

독성 정보

Ecotoxicity Values · 5건

LD50; Species: Colinus virginianus (Bobwhite quail) oral 136 mg/kg bw

EC50; Species: Chlorella pyrenoidosa (Green algae, log growth phase, 10000 cells/mL); Conditions: freshwater, static, 24 °C, pH 7.7, hardness 54.06 mg/L CaCO3; Concentration: 160 ug/L for 24 hr; Effect: general growth /Barquat MB 50, 50% AI/

EC50; Species: Chlorella pyrenoidosa (Green algae, log growth phase, 10000 cells/mL); Conditions: freshwater, static, 24 °C, pH 7.7, hardness 54.06 mg/L CaCO3; Concentration: 260 ug/L for 24 hr; Effect: general growth /Dodigen 226, 47.5% AI/

EC50; Species: Chlorella pyrenoidosa (Green algae, log growth phase, 10000 cells/mL); Conditions: freshwater, static, 24 °C, pH 7.7, hardness 54.06 mg/L CaCO3; Concentration: 450 ug/L for 24 hr; Effect: general growth /19% AI, Algicide 904/

For more Ecotoxicity Values (Complete) data for Benzalkonium Chloride Compounds (72 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), a Koc range of 640,389 to 6,171,657(2) indicates that benzalkonium chloride is expected to be immobile in soil(SRC). Benzalkonium chloride is a cationic quarternary salt(2) and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3). Benzalkonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.53X10-12 mm Hg(2). Benzalkonium chloride is considered to be stable to microbial degradation(2).

AQUATIC FATE: Based on a classification scheme(1), a Koc range of 640,389 to 6,171,657(2) indicates that benzalkonium chloride is expected to adsorb to suspended solids and sediment(SRC). Benzalkonium chloride is a quarternary salt(2) and will exist entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(3). Bioconcentration in freshwater fish of benzalkonium chloride is expected to be low(SRC) as this compound is strongly absorbed to sediment(2). Benzalkonium chloride is considered to be stable to microbial degradation(2).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzalkonium chloride, which has a vapor pressure of 3.53X10-11 mm Hg(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase benzalkonium chloride may be removed from the air by wet or dry deposition(SRC). Benzalkonium chloride does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.;Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Exposure RoutesThe substance can be absorbed into the body through the skin and by ingestion.
Toxicity Summary · 2건

On the basis of the data presented in this report, the CIR Expert Panel concludes that Benzalkonium Chloride, at concentrations up to 0.1% free, active ingredient, is safe as a cosmetic ingredient as presently used. Note: In 2006, the CIR Expert Panel considered available new data on this ingredient and confirmed the above conclusion.

Safe for use in cosmetics, with qualifications

Ecotoxicity Excerpts · 1건

/AQUATIC SPECIES/ Toxicity of Dimanin A (benzalkonium chloride) was studied in carp, guppy, and zebrafish at oxygen saturation and at oxygen concentrations of 5-6 mg/L. At oxygen saturation and the highest concentration of Dimanin A tested (500 mg/L) survival times were 15 min for carp, 19 min for guppy, and 14 min for zebrafish.

규제 정보

Regulatory Information · 4건

Chemical: Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

2002/2076

Benzalkonium chloride: HSNO Approval: HSR002952 Approved with controls

FIFRA Requirements · 4건

Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. (a) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Food-contact surfaces in public eating places, dairy-processing equipment, and food-processing equipment and utensils. Quaternary ammonium compounds, alkyl (C12-C18) benzyldimethyl, chlorides are included on this list. Limit: When ready for use, the end-use concentration of all quaternary chemicals in the solution is not to exceed 200 ppm of active quaternary compound.

Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. ... (c) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Food-processing equipment and utensils. Quaternary ammonium compounds, alkyl (C12-C18) benzyldimethyl, chlorides are included on this list. Limits: When ready for use, the end-use concentration of this specific quaternary compound is not to exceed 200 ppm within the end-use total concentration that is not to exceed 400 ppm active quaternary compound.

The Agency has completed its assessment of the dietary, occupational, drinking water, and ecological risks associated with the use of pesticide products containing the active ingredient Alkyl Dimethyl Benzyl Ammonium Chloride (ADBAC). Based on a review of these data and on public comments on the Agency's assessments for the active ingredient, ADBAC, the Agency has sufficient information on the human health and ecological effects of ADBAC to make decisions as part of the tolerance reassessment process under FFDCA and reregistration process under FIFRA, as amended by FQPA. The Agency has determined that ADBAC-containing products are eligible for reregistration provided that: (i) current data gaps and confirmatory data needs are addressed; (ii) the risk mitigation measure outlined in this document is adopted; and (iii) label amendments are made to reflect this measure. ... Based on its evaluation of ADBAC, the Agency has determined that ADBAC products, unless labeled and used as specified in this document, would present risks inconsistent with FIFRA. Accordingly, should a registrant fail to implement the risk mitigation measure identified in this document, the Agency may take regulatory action to address the risk concerns from the use of ADBAC. If all changes outlined in this document are incorporated into the product labels, then all current risks for ADBAC will be substantially mitigated for the purposes of this determination. Once an Endangered Species assessment is completed, further changes to these registrations may be necessary as explained in Section III of this document.

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer saftey standards, such as those described in the Food Quality Protection Act of 1996. Alkyl dimethyl ethylbenzyl ammonium chloride is found on List A, which contains most pesticides that are used on foods and, hence, have a high potential for human exposure. List A consists of the 194 chemical cases (or 350 individual active ingredients) for which EPA issued registration standards prior to FIFRA '88. Case No: 0350; Pesticide type: antimicrobial; Registration Standard Date: 9/30/885 PB86-169406, 9/1/85 PB87-138749; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the RED /Reregistration Eligibility Decision/ document.; Active ingredient (AI): alkyl dimethyl ethylbenzyl ammonium chloride; AI Status: The producers of the pesticide have made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

BODY CLEANSER

Skin Barrier Activity [PE]

WALGREEN

Corticosteroid Hormone Receptor Agonists [MoA]; Corticosteroid [EPC]

MeSH Pharmacological Classification · 3건

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

Substances added to pharmaceutical preparations to protect them from chemical change or microbial action. They include ANTI-BACTERIAL AGENTS and antioxidants.

Absorption, Distribution and Excretion · 4건

Percutaneous absorption is probably insignificant.

The absorption of Benzalkonium Chloride by the vaginal mucosa was evaluated in three women (ages 23, 27, and 36 years old) using tampons containing Benzalkonium Chloride (60 mg). Venous blood samples (10 mL) were drawn 15 min prior to tampon application and during the following intervals after application: 15 min, 1 hr, 3 hr, and 24 hr. The content of Benzalkonium Chloride in each blood sample was determined via HPLC (detection sensitivity < 50 ng/mL of blood). Benzalkonium Chloride was not detected in blood samples at any time during the study.

... The recovery of Benzalkonium Chloride from the blood and breast milk of four women using tampons containing Benzalkonium Chloride (60 mg) was evaluated. Venous blood and breast milk samples were taken 15 min prior to tampon application and 3 and 24 hr after application. The ... content of Benzalkonium Chloride in each sample /was determined by HPLC/. Benzalkonium Chloride was not detected in any of the four subjects.

A 50 uL drop of (14)C-Benzalkonium Chloride solution was placed on the corneal surface (lids held open) of young and adult New Zealand albino or Dutch belted rabbits. Normal blinking resumed after the lower lid was elevated to prevent fluid runoff. At various intervals after administration, the eye was washed with at least 1 mL saline and the following tissues and fluids were removed: bulbar and palpebral conjunctiva, aqueous humor, corneal epithelium, endothelium and stroma, iris-ciliary body, lens, vitreous, retina, and choroid. A plasma sample was obtained by direct cardiac puncture. Multiple drops of the radioactive solution were also applied. After administration of one drop, Benzalkonium Chloride was found in the corneal epithelium, endothelium, and stroma, and in the bulbar and palpebral conjunctivae. At no time was radioactive material found in the aqueous humor or any other tissues. Benzalkonium Chloride loss from ocular tissues was such that about one-third to two-thirds of its concentration (depending on the tissue) at 30 min remained after 24 hr; measurable values existed for as long as 120 hr. The administration of multiple drops led to continued accumulation of Benzalkonium Chloride.

용도 및 제조

Uses · 6건

CIR ingredient: Benzalkonium Chloride

Used to preserve cosmetics, mouthwashes, and skin cleansers and to cold sterilize medical and dental instruments; also used in agricultural, textile, and metallurgical processes; [Marks, p. 265-267] Quarternary ammonium compounds are also used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptics for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers; [IPCS-PIMs]

Pulp and Paper Processing [Category: Industry];Using Disinfectants or Biocides [Category: Clean];Sterilizing Equipment [Category: Clean];Textiles (Printing, Dyeing, or Finishing) [Category: Industry];Metal Extraction and Refining [Category: Industry]

For benzalkonium chloride (USEPA/OPP Pesticide Code: 069106) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Algicide, bacteriocide, bacteriostat, fungicide, fungistat, virucide, tuberculocide, insecticide, microbiocide, microbiostat, molluscide, deodorant, disinfectant, sanitizer, and wood preservation

It is a cationic wetting agent possessing detergent, keratolytic, and emulsifying action.

U.S. Production · 2건

(1972) Probably > 4.54 X 10+5 g

(1984) 7.05 X 10+9 g

Methods of Manufacturing · 2건

It can ... be made by preparing a primary amine from a fatty acid or a blend of fatty acids, then methylating the primary amine to form dimethyl alkylamine. This tertiary amine is then quaternized with benzyl chloride.

By treating a solution of N-alkyl-N-methylbenzylamine in suitable organic solvent with methyl chloride, the solvent being so chosen that the quaternary compound precipitates as it is formed.

Formulations/Preparations · 5건

Grade: United States Pharmacopeia

Benzalkonium Chloride is sold commercially as 50.0% or 80.0% solutions in water or alcohol, or in mixtures of water, ethyl alcohol, and isopropyl alcohol.

Drapolene /is/ a proprietary prepn of benzalkonium chloride in a cream base, used to treat nappy rash.

Tonsillin /is/ a proprietary prepn of benzalkonium chloride & penicillin V used in the treatment of tonsillitis.

For more Formulations/Preparations (Complete) data for Benzalkonium Chloride Compounds (31 total), please visit the HSDB record page.

Household Products · 2건

Cosmetics product ingredient: Benzalkonium chloride;Reason for Listing: Priority Chemical identified under the California Environmental Contaminant Biomonitoring Program.;Potential Health Impacts: Undefined Toxicity;Product count: 16

Information on 53 consumer products that contain Benzalkonium chloride in the following categories is provided:;• Commercial / Institutional;• Home Maintenance;• Inside the Home;• Personal Care;• Pet Care

Use ClassificationDISINFECTANTS

공급사3 곳

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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