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Hyamine10-X섬광등급

Benzethonium Chloride

HCID 178529906
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
39362-38-4
표준 SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]
InChIKey
UREZNYTWGJKWBI-UHFFFAOYSA-M
분자식
C27H42NO2.Cl
평균 분자량
448.1 g/mol

개요

Benzethonium chloride appears as odorless white crystals or powder with a very bitter taste. A 1% solution in water is slightly alkaline to litmus. (NTP, 1992)

이름 및 식별자

우선 이름
Benzethonium Chloride
IUPAC
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
현지명
Hyamine10-X섬광등급
영어명
Hyamine10-XScintillationGrade
분자식
C27H42ClNO2
분자량
448.08088

이름 및 동의어

benzethonium chloride121-54-0HyaminePhemeridePhemerol ChlorideBenzethoniumchlorideQuatrachlorDisilynInactisolKylacolPhemithynDiapp
이름 더 보기
Hyamine10-X섬광등급Hyamine10-XScintillationGrade2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chlorideAmmonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
Hyamine 1622Chlorure de benzethoniumBenzetonium chlorideAntiseptolBanagermPhemerolSanizolAnti-germ 77

데이터베이스 식별자

CAS
39362-38-4
ChEMBL
CHEMBL221753
ChEBI
CHEBI:31264
UNII
PH41D05744
EC Number
204-479-9

물성

구조 계산 물성

극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
12
무거운 원자 수
31
형식 전하
0
복잡도
466

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics · 2건

Cosmetic ingredients (Benzethonium Chloride) -> CIR (Cosmetic Ingredient Review)

Preservative

pHPH OF 1% AQ SOLN IS BETWEEN 4.8 & 5.5
LogP4.0
OdorMILD ODOR
TasteVERY BITTER TASTE
Color/FormCOLORLESS CRYSTALS
Solubility · 4건

10 to 50 mg/mL at 64 °F (NTP, 1992)

VERY SOL IN WATER GIVING FOAMY, SOAPY SOLN; SOL IN ALC, ACETONE, CHLOROFORM

SLIGHTLY SOL IN ETHER

Solubility in water: very good

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
DecompositionWhen heated to decomposition it emits very toxic fumes of /hydrogen choride and nitrogen oxides/.
Melting Point · 4건

327 to 331 °F (NTP, 1992)

164-166 °C (HOT STAGE)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.3% (5 of 394) of reports.

Danger

H301 (81%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 394 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 4건

Chemical: Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride

Hazard Traits - Hazard Trait Undefined

Status: Active Update: 28-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20277

Benzethonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride: Human health tier II assessment
Fire Hazards · 2건

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound may include vomiting, collapse, convulsions and coma. Other symptoms may include corrosion or injury to the mucous membranes. It may cause nausea, esophageal damage and necrosis, hypotension and death. It may also cause dyspnea, cyanosis, paralysis of respiratory muscles possibly leading to asphyxia, and central nervous system depression (possibly with convulsions or preceded by excitement). It has depolarizing muscle relaxant properties. It can cause irritation to the skin, eyes, mucous membranes and upper respiratory tract. Intravenous or intrauterine administration may cause hemolysis.

화학 및 산업

약리 정보

ATC Code · 2건

D - Dermatologicals

QD - Dermatologicals

MeSH Pharmacological Classification · 2건

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.

Substances that are destructive to protozoans.

Absorption, Distribution and ExcretionPERCUTANEOUS ABSORPTION IS PROBABLY INSIGNIFICANT. /BENZALKONIUM CHLORIDE/

용도 및 제조

Uses · 6건

CIR ingredient: Benzethonium Chloride

Used as a cationic detergent, germicide for cleansing food and dairy utensils, swimming pool algaecide, dandruff-control agent, deodorant, topical antiseptic, spermicide, and astringent; [HSDB] Used as a preservative in cosmetics and pharmaceuticals and as a reagent for determining protein in cerebrospinal fluid; [Merck Index]

Using Disinfectants or Biocides [Category: Clean]

MEDICATION: TOPICAL ANTI-INFECTIVE; (VET) TOPICAL ANTISEPTIC

SPERMICIDE, ASTRINGENT

ANTISEPTIC FOR WOUNDS, INFECTED SKIN SURFACES, MILD INFECTIONS OF THE EYE, & FORNASAL & ORAL MUCOSA; GERMICIDE FOR CLEANSING FOOD & DAIRY UTENSILS; FOR CONTROLLING SWIMMING POOL ALGAE; ADDITIVE IN HAIRDRESSING PREPNS TO CONTROL DANDRUFF; DEODORANT; PRESERVATIVE

Methods of Manufacturing · 1건

...P-DIISOBUTYLPHENOL IS CONDENSED IN PRESENCE OF BASIC CATALYST WITH BETA,BETA'-DICHLORODIETHYL ETHER TO YIELD 2[2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY]ETHYL CHLORIDE. ALKALINE DIMETHYLAMINATION...GIVE CORRESPONDING TERTIARY AMINE...PURIFICATION BY DISTILLATION...TREATED WITH BENZYL CHLORIDE...

Formulations/Preparations · 4건

Aqueous solution, crystals, ethanol/water solution.

V-TERGENT 8X, DETERGENT- DEODORANT; COMPOSITION: BENZETHONIUM CHLORIDE 1.6%; ISOPROPYL ALC 13.5%. APPLICATIONS: WIDELY USEFUL DETERGENT & DEODORANT. LIQUEFIES PUS & FATTY EXUDATES.

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

EUTECTIC TEMP: PHENANTHRENE 86 °C; BENZANTHRENE 98 °C

160-165 °C

Food Contact Substances · 3건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Hazards Summary · 1건

When used as a spermaticide, can cause vaginal irritation; Fatal dose by ingestion is 1-3 grams; In fatal cases after accidental ingestion, patients had vomiting, convulsions, and coma; Concentrations of 0.1% to 1% are eye irritants; Skin absorption is probably insignificant; [HSDB] Corrosive to eyes; A skin irritant; [ICSC] Allergic contact dermatitis is infrequently documented; [Marks, p. 266] 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; Elevated liver function tests were reported; Concentrated solutions can cause burns; No data on carcinogenicity or teratogenicity; [IPCS-PIMs] No interference with embryo development in rats; No human data; [REPROTOX] An irritant; May cause serious eye injury; Effects in high-dose animal studies include convulsions; [MSDSonline] See Benzalkonium chloride.

FDA Requirements · 1건

Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).

Reactive GroupEthers
Special Reports · 1건

HECHT A; STANDARDS FOR NONPRESCRIPTION GERM KILLERS. FDA CONSUM 12(JUL-AUG) 15 (1978). THE FOOD AND DRUG ADMINISTRATION'S TENTATIVE STANDARDS FOR A VARIETY OF OVER-THE-COUNTER DRUGS THAT ARE USED TO KILL GERMS ON THE SKIN ARE DISCUSSED INCL THE INGREDIENT BENZETHONIUM CHLORIDE WHICH HAS BEEN FOUND SAFE & EFFECTIVE.

Reactivity Profile · 1건

BENZETHONIUM CHLORIDE is incompatible with strong oxidizing agents. Incompatible with soap and anionic detergents. Can react with nitrates. Sensitive to light. Acids cause it to precipitate from aqueous solutions of >2% concentration. Stable for two weeks at temperatures up to 140 F, (NTP, 1992).

Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride and nitrogen oxides.
Air and Water ReactionsHygroscopic. May be sensitive to prolonged exposure to air. Water soluble.
Hazard Classes and Categories · 3건

Acute Tox. 3 (81%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

안전 및 보호

Fire Fighting · 2건

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Use water spray, powder.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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

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

First Aid · 1건

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.

Safe StorageSeparated from food and feedstuffs. Store in an area without drain or sewer access. Dry.
Fire Fighting ProceduresAlcohol foam, carbon dioxide, dry chemical, water fog /Hyamine cmpd/
Storage Conditions · 2건

... SOLUTIONS SHOULD BE STORED IN DISTINCTIVE BOTTLES (NEVER IN SOFT DRINK BOTTLES) IN A SAFE PLACE. /CATIONIC DETERGENTS/

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... . INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

Nonfire Spill Response · 1건

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 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.

Spillage Disposal · 1건

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.

독성 정보

Ecotoxicity Values · 3건

LC50 Pimephales promelas 1600 ug/l/96 hr /Conditions of bioassay not specified/

LC50 Lepomis macrochirus 1400 ug/l/96 hr /Conditions of bioassay not specified/

LC50 Oncorhynchus kisutch 53000 ug/l/96 hr /Conditions of bioassay not specified/

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesThe substance can be absorbed into the body through the skin and by ingestion.
Toxicity Summary · 2건

On the basis of the available animal and clinical data, the Expert Panel concludes that Benzethonium Chloride and Methylbenzethonium Chloride are safe at concentrations of 0.5 percent in cosmetics applied to the skin. A maximum concentration of 0.02 percent is safe for cosmetics used in the eye area. Note: FDA has prohibited the use of Methylene Chloride in cosmetic products, action which supercedes this CIR conclusion (21CFR700.19).

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 3건

Redness. Pain.

Redness. Blurred vision. Pain. Severe burns.

Nausea. Vomiting. Diarrhoea. Convulsions. Shock or collapse.

Ongoing Test Status · 1건

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=121-54-0]

ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Human Toxicity Excerpts · 4건

... USED AS SPERMATOCIDES ... CAN CAUSE VAGINAL IRRITATION, WITH BURNING SENSATIONS & ITCHING.

FATAL DOSE BY INGESTION IS EST TO BE 1-3 G. AT LEAST 3 FATALITIES HAVE OCCURRED FROM ACCIDENTAL INGESTION. /CATIONIC DETERGENTS/

Ingestion may cause vomiting, collapse, convulsions, coma.

Highly toxic by ingestion; 1 gram may be fatal.

Environmental Biodegradation · 2건

CATIONIC SURFACTANTS HAD NOBACTERIOSTATIC OR BACTERIOLYTIC ACTION ON HETEROTROPHIC BACTERIAL POPULATION ISOLATED FROM SEWAGE & RIVER WATERS, CYCLICAL ALKYLAMMONIUM CMPD ARE NOT DEGRADED.

Biodegradation: at 18 mg/l no degradation after 28 days by nonadapted sewage.

Carcinogen Classification · 6건

Benzethonium Chloride

TR-438: Toxicology and Carcinogenesis Studies of Benzethonium Chloride (CASRN 121-54-0) in F344/N Rats and B6C3F1 Mice (Dermal Studies) (1995 )

06/21/94

No Evidence

No Evidence

No Evidence

Non-Human Toxicity Excerpts · 5건

... CONCN OF 0.1% TO 1.0% IN WATER HAVE BEEN SIGNIFICANTLY IRRITATING OR INJURIOUS TO RABBIT EYE ... .

BENZETHONIUM CHLORIDE CAUSED INJECTION-SITE FIBROSARCOMAS IN RATS WITH LOW MALIGNANCY.

APPLICATION OF HYAMINE 1622 TO HEALTHY SMOLTS OF COHO SALMON FOLLOWED BY DIRECT TRANSFER TO SEAWATER FOR 10 DAYS RESULTED IN HIGH MORTALITY; WHEN TREATED & HELD IN FRESH WATER FOR 4 DAYS & GRADUALLY CHANGED OVER A 4 HR PERIOD TO SEAWATER, MORTALITY WAS MUCH LOWER.

IN RATS BENZETHONIUM CHLORIDE SIGNIFICANTLY INCR THE INCIDENCE OF FIBROSARCOMAS AFTER REPEATED INJECTION OF 3 MG/KG SC, BIWEEKLY FOR 50 WK.

For more Non-Human Toxicity Excerpts (Complete) data for BENZETHONIUM CHLORIDE (7 total), please visit the HSDB record page.

National Toxicology Program Studies · 2건

... Male and female F344/N rats and B6C3FI mice were topically administered benzethonium chloride (greater than 98% pure) for ... 2 yr. ... 2 YEAR STUDY IN RATS: Groups of 60 male and 60 female F344/N rats were topically administered 0, 0.15, 0.5, or 1.5 mg benzethonium chloride/kg body weight 5 days/wk for 103 wk. ... 2 YEAR STUDY IN MICE: Groups of 60 male and 60 female B6C3F1 mice were topically administered 0, 0.15, 0.5, or 1.5 mg benzethonium chloride/kg body weight 5 days/wk for 103 wk. Doses were administered in ethanol, and dose volumes were adjusted weekly according to the average body weights of the groups. ... CONCLUSIONS: Under the conditions of these 2 yr dermal studies, there was no evidence of carcinogenic activity of benzethonium chloride in male or female F344/N rats receiving 0.15, 0.5, or 1.5 mg/kg. There was no evidence of carcinogenic activit,v in male or female B6C3F1 mice receiving 0.15, 0.5, or 1.5 mg/kg.

Benzethonium chloride was prepared in 95% ethanol, which also served as the vehicle. A 0.5% solution of 1-fluoro-2,4-dinitrobenzene ... was used as the positive control. In the primary irritancy studies, a 10% concentration of benzethonium chloride was not significantly irritating, therefore, 20% was chosen as the challenge concentration. For the hypersensitivity test, /female/ B6C3F1 mice were divided into 7 treatment groups of 8 mice/group and administered the test compound at the concentrations shown in Table 1. The irritancy response was determined by monitoring the extravasation of 125I-bovine serum albumin into the testing area. The contact hypersensitivity response was determined by monitoring the infiltration of 125I- iododeoxyuridine labeled cells into the challenge site. ... There were no treatment-related effects on survival or body weights. The Hypersensitivity Index (HI) values obtained with benzethonium chloride sensitization at 1%, 3%, and 10% were not significantly different from the baseline control value. The positive control group (6) produced a statistically significant hypersensitivity response at a sensitizing and challenge concentration of 0.5% 1-fluoro-2,4-dinitrobenzene. ... Under these experimental conditions, no statistically significant group or dose-dependent contact hypersensitivity responses to benzethonium chloride were observed in mice by dermal exposure.

규제 정보

FDA Requirements · 1건

Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).

BENZETHONIUM CHLORIDE, USP (PHEMEROL CHLORIDE), AVAIL AS 0.133 & 3% SOLN, 0.2% TINCTURE, & 0.2% VAGINAL FOAM.

GRADE: NATIONAL FORMULARY.

Household Products · 2건

Cosmetics product ingredient: Benzethonium chloride

Information on 34 consumer products that contain Benzethonium Chloride in the following categories is provided:

Use ClassificationCosmetics -> Preservative
General Manufacturing Information · 6건

Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1): ACTIVE

THE CATIONIC DETERGENTS...SUCH AS BENZETHONIUM CHLORIDE...ARE SYNTHETIC DERIVATIVES OF AMMONIUM CHLORIDE.

A COMBINATION OF CATIONIC GERMICIDE & ANIONIC POLYMER FOR SORPTION ONTO THE TOOTH SURFACE INHIBITING CALCULUS OR PLAQUE FORMATION. BENZETHONIUM CHLORIDE IS AN INGREDIENT IN THE MOUTHWASH FORMULATION.

IT IS OF ONLY LIMITED VALUE IN TREATMENT OF FUNGUS INFECTIONS.

WHEN APPLIED TO SKIN, THEY TEND TO FORM A FILM UNDER WHICH BACTERIA MAY REMAIN VIABLE; INNER SURFACE OF FILM HAS LOW BACTERICIDAL POWER WHEREAS OUTER SURFACE IS STRONGLY BACTERICIDAL. THEY DO NOT KILL SPORES. ... ACTION IS RATHER SLOW WHEN COMPARED TO THAT OF IODINE. /QUATERNARY AMMONIUM COMPD/

For more General Manufacturing Information (Complete) data for BENZETHONIUM CHLORIDE (13 total), please visit the HSDB record page.