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HCID 8816생성일: 2026년 10월 27일

Cetylpyridinium Bromide

CETYLPYRIDINIUM BROMIDE · HEXADECYLPYRIDINIUM BROMIDE · Hexadecylpyridinium Bromide Hydrate · bromocet · 1-Hexadecylpyridinium · Cetylpyridine bromide · hexadecylpyridine bromide · N-HEXADECYLPYRIDINIUM BROMIDE

https://huagongshe.com/ko/chemical/8816

Cetylpyridinium Bromide 분자 구조식

식별자 및 물리적 특성

CAS No.140-72-7
분자식C21H38N.Br
평균 분자량384.4 g/mol
SMILESCCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
InChIKeyDVBJBNKEBPCGSY-UHFFFAOYSA-M
PubChem CID8816
ChEMBLCHEMBL334255
ChEBICHEBI:77052
EC No.205-428-3
DTXSIDDTXSID3033307

화학 및 물리적 성질

극성 표면적3.9
수소 결합 공여자 수0
수소 결합 수용자 수1
회전 가능 결합 수15
무거운 원자 수23
형식 전하0
복잡도208
물질 분류Nitrogen Compounds -> Quaternary Amines
LogP(분배 계수)log Kow= 1.83
Color/FormCream-colored, waxy solid
용해도Soluble in acetone, ethanol, and chloroformsoluble in Chloroform,Methanol,Acetone,Ethanol
DecompositionWhen heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /bromides/.
녹는점64.5 °C63-69 °C
Physical DescriptionCream-colored solid[HSDB] White powder[Acros Organics MSDS]
Other Experimental PropertiesA quaternary ammonium compound
저장 조건Inert atmosphere,Room Temperature
물리적 상태powder to crystal
색상흰색에서 거의 흰색
용해도5g/L(20℃)
BRN3778948
InChIInChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H31H/q+1/p-1
InChIKeyDVBJBNKEBPCGSY-UHFFFAOYSA-M
SMILES[N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Br-]
LogP(분배 계수)1.699 (est)
EPACetylpyridinium bromide (140-72-7)

화학적 성질

white to cream coloured powder

안전 및 규제

GHS 분류DangerH302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: Pyridinium, 1-hexadecyl-, bromideCetylpyridinium bromide: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보Evaluation - Alkyl pyridinium surfactants
유해성 요약Topical use during pregnancy unlikely to cause teratogenic effects[ToxPlanet: TERIS] Causes changes in leukocyte count, dermatitis, and effects on true cholinesterase in 21-day intermittent dermal studies of rats[RTECS] A severe irritant that may cause eye injuryHarmful by ingestionHighly toxic by inhalationChloride salt: Not a skin sensitizer in guinea pigsLC50 (rat) = 90 mg/m3/4hr[Acros Organics MSDS] See Cetylpyridinium chloride.
FIFRA 요건As 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 future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Cetylpyridinium bromide is found on List C. Case No: 3013Pesticide type: insecticide, fungicide, rodenticide, antimicrobialCase Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.

용도

개요

1-Hexadecylpyridinium bromide is a cationic surfactant capable of bactericidal activity and has been used for ion exchange. As a bactericidal agent, it reduces the surface tension between pathogenic membranes and their environments. This interaction disrupts membrane integrity and osmoregulation, leading to cell lysis. It has also been shown to quickly and efficiently remove metal ions from solutions. The compound removes cations from the solution through a cation/surfactant complex, which precipitates from an aqueous phase into an organic phase and can subsequently be extracted. It is an effective ion exchange agent for extracting DNA and proteins.

Active ingredient (AI): Cetylpyridinium bromide
AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
Hazard Classes and CategoriesAcute Tox. 4 (96.1%)
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a log Kow of 1.83(2) and a regression-derived equation(3), indicates that cetylpyridinium bromide is expected to have moderate mobility in soil(SRC). However, quaternary ammonium compounds are known to sorb strongly, and rapidly in well-mixed systems, to a wide variety of materials (such as sewage sludge, sediment, clay)(5) and the mobility of cetylpyridinium bromide in soil may be considerably less than estimated. Volatilization of cetylpyridinium bromide from moist soil surfaces is not expected as this compound is a salt(SRC). Cetylpyridinium bromide is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-7 mm Hg(SRC), determined from a fragment constant method(4). Cetylpyridinium bromide is expected to biodegrade rapidly in the environment(SRC) based on studies using sewage(5,6)rates of biodegradation increased with acclimation of the microbial population(5,6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from an measured log Kow of 1.83(2) and a regression-derived equation(3), indicates that cetylpyridinium bromide is not expected to adsorb to suspended solids and sediment(SRC). However, quaternary ammonium compounds are known to sorb strongly, and rapidly in well-mixed systems, to a wide variety of materials (such as sewage sludge, sediment, clay)(7)therefore, cetylpyridinium bromide should be strongly adsorbed to suspended solids and sediment in water. This compound is expected to exist in the dissociated form in the environment and therefore volatilization from water surfaces will not be an important fate process(SRC). According to a classification scheme(4), BCF values of 21, 22, and 13, measured for clams, fathead minnows, and tadpoles, respectively(5), suggest the potential for bioconcentration in aquatic organisms is low(SRC). Cetylpyridinium bromide is expected to biodegrade rapidly in the environment(SRC) based on studies using sewage(7,8)rates of biodegradation increased with acclimation of the microbial population(7,8).ATMOSPHERIC FATE: Cetylpyridinium bromide will exist as the ion in the environment and, thus, will be present solely in the particulate phase in the atmosphere. Particulate-phase cetylpyridinium bromide may be removed from the air by wet and dry deposition.(SRC)
Soil Adsorption/MobilityKd values for cetylpyridinium bromide on Sherman Island sediment and bentonite clay were 80 and 33,400, respectively(1). The Koc of cetylpyridinium bromide is estimated as 240(SRC), using a measured log Kow of 1.83(2) and a regression-derived equation(3). According to a classification scheme(4), this estimated Koc value suggests that cetylpyridinium bromide is expected to have moderate mobility in soil. However, quaternary ammonium compounds are known to sorb strongly, and rapidly in well-mixed systems, to a wide variety of materials (such as sewage sludge, sediment, clay)(5) and the mobility of cetylpyridinium bromide in soil may be considerably less than estimated(SRC).
Artificial Pollution SourcesCetylpyridinium bromide's production and use as a topical antiseptic/disinfectant(1) and as a deodorant, laboratory reagent, and surfactant(2) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationBiodegradation: at 18 mg/l (inoculum = sew.) lag period = 6 daysafter 17 days complete degradation.AEROBIC: Concentrations of up to 25 mg/l cetylpyridinium bromide were readily removed by model trickling filters acclimated to this compoundsorption was not a major process of removal as shown by extraction of slime layers(1). Cetylpyridinium bromide at 6 mg/l in the influent was not detected in effluent samples in model activated sludge systems(3). Cetylpyridinium bromide was completely degraded in 17 days in sewage(2). Another study shows 100% biodegradation in 3 days with this reduced to 2 days using the acclimated sewage in a second pass(2). Mean cetylpyridinium (counterion unspecified) removal of 96.0 and 77.2%, respectively, was observed at an activated sludge and a trickling filter wastewater treatment plant in Englandin the Heidelsheim plant in Germany, 95% removal was reported(4).
Environmental BioconcentrationWhole body BCF values of 21, 22, and 13, were measured for clams, fathead minnows, and tadpoles, respectively, under flow-through conditions over a 7-day period(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilCetylpyridinium bromide is expected to exist in the dissociated form in the environment and, therefore, volatilization from water surfaces or moist soil surfaces will not be an important fate process. Cetylpyridinium bromide is not expected to volatilize from dry soil surfaces as it exists as an ion in the environment and ions do not volatilize. (SRC)
Environmental Abiotic DegradationCetylpyridinium bromide is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(1). Pyridine has a weak absorption band that extends into the environmental UV spectrum(2), which suggests that direct photolysis is not likely to be an important fate process for cetylpyridinium bromide(SRC).
Probable Routes of Human ExposureOccupational exposure to cetylpyridinium bromide may occur through inhalation and dermal contact with this compound at workplaces where cetylpyridinium bromide is produced or used. The general population may be exposed to cetylpyridinium bromide via its use in consumer products, such as deodorants. (SRC)
Environmental Fate/Exposure SummaryCetylpyridinium bromide's production and use as a topical antiseptic/disinfectant, deodorant, laboratory reagent, and surfactant may result in its release to the environment through various waste streams. If released to air, cetylpyridinium bromide will exist in the particulate phase in the ambient atmosphere as an ion. Particulate-phase cetylpyridinium bromide will be removed from the atmosphere by wet and dry deposition. If released to soil, cetylpyridinium bromide is expected to have moderate mobility based upon an estimated Koc of 240. However, quaternary ammonium compounds are known to sorb strongly, and rapidly in well-mixed systems, to a wide variety of materials (such as sewage sludge, sediment, clay) and the mobility of cetylpyridinium bromide in soil may be considerably less than the estimated value. Volatilization from moist soil surfaces is not expected to be an important fate process as this compound is expected to exist in the environment in the dissociated form. Cetylpyridinium bromide will not volatilize from dry soil surfaces based upon its vapor pressure. Cetylpyridinium bromide is expected to biodegrade rapidly in aerobic soil and water environments based on studies using sewagerates of biodegradation increased with acclimation of the microbial population. If released into water, cetylpyridinium bromide is not expected to adsorb to suspended solids and sediment based upon the estimated Kochowever, it is a quaternary ammonium compounds and based on this is expected to adsorb strongly to suspended solids and sediment in the water. Volatilization from water surfaces will not be an important fate process as this compound is expected to exist in the dissociated form in the environment. BCF values of 21, 22, and 13, measured for clams, fathead minnows, and tadpoles, respectively suggests that bioconcentration in aquatic organisms is low. Hydrolysis of cetylpyridinium bromide is not expected due to the lack of hydrolyzable functional groups. Occupational exposure to cetylpyridinium bromide may occur through inhalation and dermal contact with this compound at workplaces where cetylpyridinium bromide is produced or used. The general population will most likely be exposed to cetylpyridinium bromide via dermal contact with consumer products containing cetylpyridinium bromide. (SRC)
Antidote and Emergency Treatment/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B//SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호UU4848000
운송 번호(UN)2811
독성mouse,LD50,unreported,126mg/kg (126mg/kg),Pharmazie. Vol. 40, Pg. 273, 1985.
관세 코드29333999
위험 문구(R)22-26-36/37/38-20/21/22
위험 표시T+,Xi,Xn
안전 문구(S)26-28-36/37-45-36/37/39-22-36
포장분류III
위험 등급6.1(b)Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
기존화학 물질KE-18509
저장 분류6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
유해 물질 데이터140-72-7(Hazardous Substances Data)