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HCID 31239作成日：2026年10月27日

1-セチルピリジニウム·クロリド

ピリセプト · セプリム · ビオセプト · セエプリンクロリド · 1-ヘキサデシルピリジニウム·クロリド · セチルピリジニウム·クロリド · ヘキサデシルピリジニウムクロリド · 1-セチルピリジニウム·クロリド

https://huagongshe.com/ja/chemical/31239

1-セチルピリジニウム·クロリド の分子構造式

識別子と物理属性

CAS No.123-03-5
分子式C21H38N.Cl
平均分子量340 g/mol
SMILESCCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
InChIKeyYMKDRGPMQRFJGP-UHFFFAOYSA-M
PubChem CID31239
ChEMBLCHEMBL2003538
ChEBICHEBI:32915
EC No.204-593-9
DTXSIDDTXSID6041761
現地名1-セチルピリジニウム·クロリド

化学・物理的性質

極性表面積3.9
水素結合供与体数0
水素結合受容体数1
回転可能結合数15
重原子数23
形式電荷0
複雑度208
物質分類Nitrogen Compounds -> Quaternary Amines
化粧品EmulsifyingDeodorantHair conditioningAntimicrobialAntistaticSurfactant
LogP（分配係数）log Kow= 1.71
Color/FormWhite powder
溶解度Very soluble in water, chloroform水に溶けやすく、クロロホルムに溶けやすく、エーテルに溶けにくく、アセトン、酢酸、エタノールに溶けにくい。111g/L at 20℃
DecompositionWhen heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/.
融点80 °C77°C
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
屈折率INDEX OF REFRACTION (@ 20 °C): MONOCLINIC 1.509TRICLINIC 1.566ORTHORHOMBIC 1.6131.6000 (estimate)
Physical DescriptionDry PowderWhite solid[HSDB]
Collision Cross Section197.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Other Experimental PropertiesWhite powdermp: 77-83 °Cfreely sol in water, alcohol, chloroformvery slightly sol in benzene, etherph (1% aq soln): 6.0 to 7.0surface tension (25 °C): 43 dyn/cm (0.1% aq soln), 41 dyn/cm (1.0% aq soln), 38 dyn/cm (10% aq soln) /Cetylpyridinium chloride monohydrate/
沸点496.25°C (rough estimate)
密度0.9362 (rough estimate)
蒸気圧0Pa at 25℃
貯蔵条件Inert atmosphere,Room Temperature
外観・状態白色結晶性粉末
色White to off-white
臭い100.00?%で。ピリジン
安定性安定。可燃性。強酸化剤、強塩基とは相容れない。
化粧品成分の機能口腔ケア抗菌剤デオドラント帯電防止
LogP（分配係数）1.71 at 20℃
CAS データベース123-03-5(CAS DataBase Reference)
EPAの化学物質情報Cetylpyridinium chloride (123-03-5)

化学的特性

Cetylpyridinium chloride (CPC) is a white powder or crystals with a characteristic odor. It is slightly soapy to the touch. Cetylpyridinium chloride is a quaternary ammonium compound and is the active chemical in some human mouthwashes on the market. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. The antimicrobial activity is due to an interaction of basic cetylpyridinium ions with acidic molecules on bacteria, which subsequently inhibits bacterial metabolism by forming weak ionic compounds that interfere with bacterial respiration.

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 19.3% (36 of 187) of reports.DangerH301 (33.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 187 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報Chemical: Pyridinium, 1-hexadecyl-, chloride (1:1)Hazard Traits - Hazard Trait UndefinedPyridinium, 1-hexadecyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridinium, 1-hexadecyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17221Pyridinium, 1-hexadecyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard1-Hexadecylpyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報Evaluation - Alkyl pyridinium surfactants
有害性の概要Irritating to the skin and eyes[HSDB] Allergic contact dermatitis is infrequently documented for quaternary ammonium compounds[Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingestedAffected patients may have methemoglobinemia and hemolysis and die within 1-3 hoursElevated liver function tests were reportedConcentrated solutions can cause burnsNo data on carcinogenicity or teratogenicity[IPCS-PIMs] See Benzalkonium chloride.
FIFRA 要件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 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 chloride is found on List C. Case No: 3013

用途

用途

口内殺菌消毒剤、咽頭炎、扁桃炎、口内炎の治療に用いる

説明

Cetylpyridinium is a quaternary ammonium with broad-spectrum antiseptic activities. It is active against S. mutans, S. sanguis, E. coli, Oxford Staphylococcus, and C. albicans in media (MICs = 1.25-62.5 μg/ml) and against Oxford Staphylococcus in pooled human saliva (MICs = 7.8-15.6 μg/ml). Cetylpyridinium slows plaque formation for at least 21 days compared to a deionized water control in a rat incisor plaque model when applied topically at concentrations ranging from 0.025 to 2%. Formulations containing cetylpyridinium have been used as antiseptic agents in the treatment of gingivitis and as antimicrobial agents in raw food processing.

使用

Antibacterial in cough lozenges and syrups; emulsifier.

製法・合成法

調製方法

Cetylpyridinium chloride is prepared from cetyl chloride by treatment with pyridine.

Pesticide type: insecticide, fungicide, rodenticide, antimicrobial
Case 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.
Active ingredient (AI): Cetylpyridinium chloride
AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
Hazard Classes and CategoriesAcute Tox. 3 (33.7%)Acute toxicity (Oral) - Category 3
Skin, Eye, and Respiratory IrritationsMild skin irritationA skin & eye irritant.
処分方法SRP: 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.
Protective Action Criteria (PAC)0.060 [mg/m3]0.66 [mg/m3]4.0 [mg/m3]
相互作用AVOID ALCOHOL, WHICH HAS BEEN SHOWN TO INCREASE THE ORAL TOXICITY OF ... CETYL PYRIDINIUM CHLORIDE ... .CURARE ANTAGONISTS SUCH AS NEOSTIGMINE AND EDROPHONIUM (TENSILON) ... MAY ENHANCE THE PARALYSIS ... . /BENZALKONIUM CHLORIDE/... ANTAGONIZED BY ANIONIC SURFACTANTS, INCL SOAPS ... .ETHANOL ACTIVATED UDP-GLUCURONOSYLTRANSFERASE ACTIVITY (P-NITROPHENOL SUBSTRATE) IN RAT LIVER IN VITRO, BUT INHIBITED ACTIVITY @ HIGHER ETHANOL CONCN. ACTIVATION NOT SEEN IN MICROSOMES PRETREATED IN VITRO WITH CETYLPYRIDINIUM CHLORIDE.
環境中動態TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a log Kow of 1.71(2) and a regression-derived equation(3), indicates that cetylpyridinium chloride 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)(4) and the mobility of cetylpyridinium bromide in soil may be considerably less than estimated. Volatilization of cetylpyridinium chloride from moist soil surfaces is not expected as this compound is a salt(SRC). Cetylpyridinium chloride is also not expected to volatilize from dry soil surfaces(SRC) as ions do not volatilize. Cetylpyridinium chloride is expected to biodegrade rapidly in soil(SRC) based on sewage studies for structurally-similar compounds. Dodecyl and tetradecylpyridinium chloride, were biodegraded in the Spanish official test (93 and 94%, respectively) and in the OECD Confirmatory test (91 and 92%, respectively)(4).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a log Kow of 1.71(2) and a regression-derived equation(3), indicates that cetylpyridinium chloride 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(5), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Cetylpyridinium chloride is expected to biodegrade rapidly in water(SRC) based on sewage studies for structurally-similar compounds. Dodecyl and tetradecylpyridinium chloride, were biodegraded in the Spanish official test (93 and 94%, respectively) and in the OECD Confirmatory test (91 and 92%, respectively)(7).ATMOSPHERIC FATE: Cetylpyridinium chloride will exist as the ion in the environment and, thus, will be present solely in the particulate phase in the atmosphere. Particulate-phase cetylpyridinium chloride may be removed from the air by wet and dry deposition. (SRC)
有害作用Neurotoxin - Other CNS neurotoxin
Soil Adsorption/MobilityThe Koc of cetylpyridinium chloride is estimated as 200(SRC), using a measured log Kow of 1.71(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cetylpyridinium chloride 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)(4) and the mobility of cetylpyridinium chloride in soil may be considerably less than estimated(SRC).
Human Toxicity ExcerptsCONCN SOLN CAN PRODUCE CORROSIVE SKIN LESIONS WITH DEEP NECROSIS & SCARRING. /BENZALKONIUM CHLORIDE/... POISONING FROM ORAL INGESTION HAS OCCURRED. /CATIONIC SURFACTANTS//Investigators/ ... studied the offspring of 292 women using this medication in the first trimester and found 9 malformations. The rate was 31 congenital defects per 1000 while the mean rate was 16 per 1000. This increase was not statistically significant.Large quantities may cause nausea, vomiting, collapse, convulsions and coma.
Artificial Pollution SourcesCetylpyridinium chloride's production and use as an antiseptic, as a preservative in cosmetics and pharmaceuticals(1) and as an ingredient in external deodorants(2), and in mouthwash(3) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationALKYLPYRIDINIUM DERIVATIVES ARE LESS BIODEGRADABLE THAN MONOALKYLTRIMETHYL & ALKYLBENZYL DIMETHYL AMMONIUM CHLORIDES. /ALKYLPYRIDINIUM DERIVATIVES/AEROBIC: Biodegradation data for cetylpyridinium chloride were not located although, based on data for structurally-similar compounds, this compound is expected to biodegrade rapidly in the environment(SRC). Structurally-similar compounds, dodecyl and tetradecylpyridinium chloride, were biodegraded in the Spanish official test (93 and 94%, respectively) and in the OECD Confirmatory test (91 and 92%, respectively)(1). 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(1). Cetylpyridinium bromide is readily biodegraded in sewage, particularly when the inoculum has been previously acclimated(2,3).
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, for a structurally-similar compound, cetylpyridinium bromide(1). An estimated BCF of 2 was calculated for cetylpyridinium chloride(SRC), using a log Kow of 1.71(2) and a regression-derived equation(3). According to a classification scheme(4), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilCetylpyridinium chloride is expected to exist in the dissociated form in the environment and, therefore, volatilization from water surfaces or moist soil surfaces will not an important fate process. Cetylpyridinium chloride is not expected to volatilize from dry soil surfaces as it exists as an ion in the environment and ions do not volatilize. (SRC)
Non-Human Toxicity ExcerptsIN ISOLATED OBSERVATION ... NO INHIBITION OF PLASMA CHOLINESTERASE WAS FOUND IN RATS SACRIFICED IN EXTREMIS AFTER AN IP INJECTION OF ... CETYL PYRIDINIUM CHLORIDE. A 50% INHIBITION OF RED CELL CHOLINESTERASE ... /WAS/ NOTED, BUT SUCH A DEPRESSION IS NOT EXPECTED TO PRODUCE UNTOWARD REACTIONS.A CURARE-LIKE PARALYSIS OF SKELETAL MUSCLES ... ASCRIBED ... SPECIFICALLY TO CETYL PYRIDINIUM CHLORIDE ... . PARENTERAL INJECTIONS IN RATS, RABBITS AND DOGS HAVE RESULTED IN PROMPT BUT TRANSIENT LIMB PARALYSIS AND SOMETIMES FATAL PARESIS OF THE RESPIRATORY MUSCLES.... TESTED ... @ CONCN OF 0.1% TO 1.0% IN WATER ... SIGNIFICANTLY IRRITATING OR INJURIOUS TO RABBIT EYE.CETYLPYRIDINIUM CHLORIDE FOUND ... TO BE LETHAL TO RABBITS IN ORAL DOSE 400 MG/KG (180 MG/LB). TOXIC EFFECTS INCL ACTION ON CARDIOVASCULAR SYSTEM ... .For more Non-Human Toxicity Excerpts (Complete) data for CETYLPYRIDINIUM CHLORIDE (7 total), please visit the HSDB record page.
Environmental Abiotic DegradationCetylpyridinium chloride 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(3), which suggests that direct photolysis is not likely to be an important fate process for cetylpyridinium chloride (SRC).
Probable Routes of Human ExposureNIOSH (NOES Survey 1981-1983) has statistically estimated that 98,375 workers (86,013 of these are female) are potentially exposed to cetylpyridinium chloride in the US(1). Occupational exposure to cetylpyridinium chloride may occur through inhalation and dermal contact with this compound at workplaces where cetylpyridinium chloride is produced or used(SRC). The general population may be exposed to cetylpyridinium chloride predominantly via ingestion or dermal contact due to its use in consumer products, such as mouthwash, external deodorants, and cough lozenges and syrups(SRC).
TSCA 収載状態TSCA listed
輸送番号（UN）2811
税関コード2933399990
危険等級6.1(b)
包装等級III
有害物質データ123-03-5(Hazardous Substances Data)
危険度評価（NFPA 704基準/消防庁データ）人的[青]=2