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1-(3-クロロアリル)-3,5,7-トリアザ-1-アゾニアアダマンタン·クロリド

Quaternium 15

HCID 20011
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
4080-31-3
標準SMILES
ClC=CC[N+]12CN3CN(CN(C3)C1)C2.[Cl-]
InChIKey
UKHVLWKBNNSRRR-UHFFFAOYSA-M
分子式
C9H16ClN4.Cl
平均分子量
251.15 g/mol
単同位体質量
250.0752019

概要

1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride is a cream-colored powder. (NTP, 1992)

名称と識別子

優先名称
Quaternium 15
IUPAC
1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
現地名
1-(3-クロロアリル)-3,5,7-トリアザ-1-アゾニアアダマンタン·クロリド
英語名
Quaternium-15
分子式
C9H16ClN4.Cl
分子量
251.16

名称と別名

Quaternium-154080-31-3DTXSID5024760CHEBI:59607Dowicil 100N-(3-Chloroallyl)hexaminium chlorideDowicide Q1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chlorideQuaternium 15Cinartc 200Dowco 184E40U03LEM0
名称をさらに表示
ダウィシドQダウィシル100クアテルニウム15ダウィシル751-(3-クロロ-2-プロペニル)-1,3,5,7-テトラアザトリシクロ[3.3.1.13,7]デカン-1-イウム·クロリド1-(3-クロロアリル)-3,5,7-トリアザ-1-アゾニアアダマンタン·クロリド1-(3-クロロ-2-プロペニル)-3,5,7-トリアザ-1-アゾニアトリシクロ[3.3.1.13,7]デカン·クロリド3-(3-クロロアリル)-3-アゾニア-1,5,7-トリアザアダマンタン·クロリドダウコ1841-(3-クロロアリル)-3,5,7-トリアザ-1-アゾニアアダマンタンクロリド3-(3’-クロロアリル)ヘキサメチレンテトラアンモニウムクロライドクオタニウム-15Dowicil 75methenamine 3-chloroallylochlorideMethenamine 3-chloroallylochloride (CTAC)DOWICILCTACMirabegron Impurity 79Rimantadine Impurity 11METHANAMINE3-CHLOROALLYLOCHLORIDE

物性

構造計算による物性

極性表面積
9.7 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
15
形式電荷
0
複雑度
224

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics · 2 件

Cosmetic ingredients (Quaternium-15) -> CIR (Cosmetic Ingredient Review)

Preservative

pHpH = 5.57 at 24 °C
LogPlog Kow = -0.1
Odor · 2 件

Pungent odor

Slight amine-like

Density · 3 件

0.4 g/cu cm (bulk density)

Off-white powder with slight amine odor. Bulk density (25 °C): 0.44 g/cu cm. VP (25 °C): 1X10-9 mm Hg. Miscible with water /cis-Quaternium-15/

0.4 No Temp

Color/Form · 2 件

Cream colored powder

White- to cream-colored powder

Solubility · 6 件

greater than 100 mg/mL at 72 °F (NTP, 1992)

Solubility at 25 °C (g/100 g): water 127.2

Solubility at 25 °C (g/100 g): mineral oil <0.1, isopropanol <0.1, ethanol 2.4, methanol 20.8, glycerine 12.6, propylene glycol 18.7

In organic solvents at 25 °C, g/100 g: methanol = 20.8, propylene glycol = 18.7, glycerine = 12.6, ethanol = 2.04, isopropanol = <0.1, mineral oil = <0.1

Soluble in water and methanol; almost insoluble in acetone

In water, 127.2 g/100 g water @ 25 °C

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 13.4% (109 of 812) of reports.

Danger

H301 (62.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 812 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride

Hazard Traits - Hazard Trait Undefined

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

Other Safety InformationIMAP assessments - Formaldehyde donors: Human health tier II assessment
DOT LabelFlammable Solid
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Hazards Summary · 1 件

Quaternium-15 is a preservative used in cosmetics. It is a relatively common cause of allergic contact dermatitis in consumers of cosmetics. [Marks, p.121-122] Allergic contact dermatitis reported in hairdressers, a machine maintenance engineer in a chicken processing plant, and a photocopying worker; [Kanerva, p. 1832] A formaldehyde releaser used in cosmetics; It can cause allergic contact dermatitis; Rinse off products in general will have a low risk of causing allergic contact dermatitis. [Kanerva, p. 398-404]

化学と産業

薬理情報

Biological Half-Life · 1 件

Almost complete absorption of Quaternium-15 (84%-88% of dose) was achieved in 48 hours after oral administration, whereas only 1% to 2% absorption occurred in that time after dermal application of dilute or concentrated solutions; absorption rates were not determined. Excretion of radioactivity from Quaternium-15 was bimodal, initially rapid (half-life = 1.3 + or - 0.1 hours) and then slow (half-life = 22.7 + or - 2.0 hours).

Metabolism/Metabolites · 2 件

Almost complete absorption of Quaternium-15 (84%-88% of dose) was achieved in 48 hours after oral administration, whereas only 1% to 2% absorption occurred in that time after dermal application of dilute or concentrated solutions; absorption rates were not determined. Excretion of radioactivity from Quaternium-15 was bimodal, initially rapid (half-life = 1.3 + or - 0.1 hours) and then slow (half-life = 22.7 + or - 2.0 hours). Quaternium-15 that reached the systemic circulation was metabolized extensively. The extent of metabolism was influenced by the route of administration, because as little as 5% of ring-derived CO2 was found after dermal application. The only metabolite tentatively identified was formic acid (based solely on retention times). Although several other metabolites were found in the urine of rats, attempts to identify these compounds were unsuccessful.

Formaldehyde may be absorbed following inhalation, oral, or dermal exposure. It is an essential metabolic intermediate in all cells and is produced during the normal metabolism of serine, glycine, methionine, and choline and also by the demethylation of N-, S-, and O-methyl compounds. Exogenous formaldehyde is metabolized to formate by the enzyme formaldehyde dehydrogenase at the initial site of contact. After oxidation of formaldehyde to formate, the carbon atom is further oxidized to carbon dioxide or incorporated into purines, thymidine, and amino acids via tetrahydrofolatedependent one-carbon biosynthetic pathways. Formaldehyde is not stored in the body and is excreted in the urine (primarily as formic acid), incorporated into other cellular molecules, or exhaled as carbon dioxide. Nitrosamines can also enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (L962, A2878, A2879)

FDA Pharmacological Classification · 6 件

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
NSC-1729711-(3-chloroallyl)-hexaminium chlorideRefChem:9304403,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chlorideDTXCID5012850101-(3-chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo(3.3.1.1^(3,7))decan-1-ium chloride1-(3-chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo(3.3.1.13,7)decan-1-ium chloride223-805-0

データベース識別子

CAS
4080-31-3
PubChem CID
20011
DTXSID
DTXSID5024760
EC Number
223-805-0
Boiling PointDecomposes above 60 °C
DecompositionWhen heated to decomposition it emits toxic fumes of /hydrogen chlorides and nitrogen oxides/.
Melting Point178-210 °C
Vapor Pressure<1.0X10-7 mm Hg at 25 °C

物理化学的性質

融点
178 · 178-210 °C
沸点
396.43 °C · 396.43°C (rough estimate)
比重(密度)
1.2898 · 1.2898 (rough estimate)
屈折率
1.63 · 1.6300 (estimate)
溶解性
DMSO (Slightly), Methanol (Slightly)
外見
Solid
色
Off-White to Pale Yellow
化粧品成分の機能
抗菌剤防腐剤
LogP
1.347 · 1.347 (est)
EPAの化学物質情報
1 · 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride (4080-31-3)
Reactive GroupAmines, Phosphines, and Pyridines
Special Reports · 1 件

USEPA/Office of Prevention, Pesticides and Toxic Substances; Reregistration Eligibility Decision Document - Dowicil CTAC, EPA 738-R-95-017 (April 1995). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of October 12, 2012: http://www.epa.gov/pesticides/reregistration/status.htm]

RCRA Requirements · 1 件

Based on the reviews of the generic data for the active ingredients Dowicil 75 and Dowicil 150, the Agency has sufficient information on the health effects of Dowicil CTAC and on their potential for causing adverse effects in fish and wildlife and the environment. The Agency has determined that Dowicil CTAC products, labeled and used as specified in this Reregistration Eligibility Decision, will not pose unreasonable risks or adverse effects to humans or the environment. Therefore, the Agency concludes that products containing Dowicil CTAC for all uses are eligible for reregistration.

FIFRA Requirements · 1 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 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. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride is found on List C. Case No: 3069; Pesticide type: antimicrobial; Case Status: RED Approved 03/95; OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride; Data Call-in (DCI) Date(s): 03/31/92; AI Status: OPP has completed a Reregistration Eligibility Decision (RED) for the case/AI.

Reactivity Profile1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE is basic. May react with strong reducing agents to give flammable gases. Possible vigorous combination with strong oxidizing agents.
Air and Water ReactionsDust may form an explosive mixture in air. Water soluble.

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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.

Exposure Control and Personal Protection2.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
Storage Conditions · 1 件

Nonrefillable container: Do not reuse or refill this container. Completely empty liner by shaking and tapping sides and bottom to loosen clinging particles. Empty residue into mix tank. Triple rinse drum liner and remove liner and dispose of liner in a sanitary landfill, or by incineration, or, if allowed by state and local authorities, by burning. If burned, stay out of smoke. Then offer drum for recycling if available. If drum is contaminated and cannot be reused, dispose of it in the manner required for its liner. /Dowicil 75 Preservative/

Nonfire Spill Response · 1 件

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.

Disposal Methods · 3 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

Waste resulting from the use of this product may be disposed of on a site or at an approved waste disposal facility. /Dowicil 75 Preservative/

Nonrefillable container: Do not reuse or refill this container. Completely empty liner by shaking and tapping sides and bottom to loosen clinging particles. Empty residue into mix tank. Triple rinse drum liner and remove liner and dispose of liner in a sanitary landfill, or by incineration, or, if allowed by state and local authorities, by burning. If burned, stay out of smoke. Then offer drum for recycling if available. If drum is contaminated and cannot be reused, dispose of it in the manner required for its liner. /Dowicil 75 Preservative/

Preventive Measures · 2 件

Wash thoroughly with soap and water after handling and before eating, drinking, chewing gum, using tobacco, or using the toilet. Avoid contact with skin and eyes. /Dowicil 75 Preservative/

Do no wear clothing grossly contaminated with the product. /Dowicil 75 Preservative/

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Protective Action Criteria (PAC) · 3 件

6.0 [mg/m3]

17 [mg/m3]

99 [mg/m3]

Personal Protective Equipment (PPE) · 2 件

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)

Handlers must wear chemical-resistant gloves (such as nitrile, butyl, neoprene, and/or Barrier-4-laminate). /Dowicil 75 Preservative/

毒性情報

Health Effects · 1 件

Quaternium-15 releases formaldehyde, a known human carcinogen. It may also react to produce nitrosamines, which are believed to be carcinogenic. Quaternium-15 is also an allergen, and can cause contact dermatitis in susceptible individuals. Many of those with an allergy to quaternium-15 are also allergic to formaldehyde. It is the single most often found cause of allergic contact dermatitis of the hands. (L962, L1890, L1897)

Ecotoxicity Values · 5 件

LD50; Species: Anas platyrhynchos (Mallard duck) oral >2510 mg/kg (67.5% a.i.) /Dowicil CTAC; contains the two active ingredients Dowicil75 and Dowicil150/

LD50; Species: Anas platyrhynchos (Mallard duck) oral 1440 mg/kg (95% a.i.) /Dowicil CTAC; contains the two active ingredients Dowicil75 and Dowicil150/

LC50; Species: Anas platyrhynchos (Mallard duck) dietary >5620 ppm (67.5% a.i.) /Dowicil CTAC; contains the two active ingredients Dowicil75 and Dowicil150/

LC50; Species: Anas platyrhynchos (Mallard duck) dietary >5627 ppm (95% a.i.) /Dowicil CTAC; contains the two active ingredients Dowicil75 and Dowicil150/

For more Ecotoxicity Values (Complete) data for N-(3-CHLOROALLYL)HEXAMINIUM CHLORIDE (21 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: N-(3-Chloroallyl)hexaminium chloride is 97.8% ionized in moist soil(1), indicating that this compound will exist almost entirely in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(2). Volatilization from moist soil is not expected because cations do not volatilize(SRC). N-(3-Chloroallyl)hexaminium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of <1.0X10-7 mm Hg at 25 °C(1). A biological screening study using Sapromat apparatus observed degradation of N-(3-chloroallyl)hexaminium chloride with an initial half-life of about 1.5 days and 95-100% degradation after 7 days of incubation(3).

AQUATIC FATE: N-(3-Chloroallyl)hexaminium chloride is 97.8% ionized in aqueous solutions(1), indicating it will exist almost 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(SRC). According to a classification scheme(2), an estimated BCF of 3(SRC), from its log Kow of -0.10(1) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The aqueous hydrolysis half-lives of N-(3-chloroallyl)hexaminium chloride (58 ppm concentration, 25 °C) were reported as 1.1, 2.7, and 2.2 days at pH 5, 7, and 9, respectively(1). A biological screening study using Sapromat apparatus, observed degradation of N-(3-chloroallyl)hexaminium chloride with an initial half-life of about 1.5 days and 95-100% degradation after 7 days of incubation(4).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-(3-chloroallyl)hexaminium chloride, which has a vapor pressure of <1.0X10-7 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase N-(3-chloroallyl)hexaminium chloride is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 44 min(SRC), calculated from its rate constant of 5.2X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The rate constant for the vapor-phase reaction of N-(3-chloroallyl)hexaminium chloride with ozone has been estimated as 1.2X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). This corresponds to an atmospheric half-life of about 10 days at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(4). Particulate-phase N-(3-chloroallyl)hexaminium may be removed from the air by wet or dry deposition(SRC). N-(3-Chloroallyl)hexaminium chloride does not contain chromophores that absorb at wavelengths >290 nm(5) 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.
Exposure RoutesOral (L962) ; inhalation (L962) ; dermal (L962)
Toxicity Summary · 3 件

Quaternium-15 is safe as a cosmetic ingredient in the practices of use in this safety assessment at concentrations not to exceed 0.2%.

Safe for use in cosmetics, with qualifications

Quaternium-15 is a formaldehyde releaser. It is likely that formaldehyde toxicity occurs when intracellular levels saturate formaldehyde dehydrogenase activity, allowing the unmetabolized intact molecule to exert its effects. Formaldehyde is known to form cross links between protein and DNA and undergo metabolic incorporation into macromolecules (DNA, RNA, and proteins). Quaternium-15 is also a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L962, L1889, L1890, A2878, A2879, A2880, L1897)

Signs and SymptomsQuaternium-15 can cause contact dermatitis in sensitive individuals. (L1897)
Ongoing Test Status · 1 件

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.[Available from, as of October 19, 2012: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=4080-31-3]

Soil Adsorption/Mobility · 1 件

N-(3-Chloroallyl)hexaminium chloride is 97.8% ionized in aqueous solutions(1), indicating that this compound will exist almost entirely in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(2).

Human Toxicity Excerpts · 5 件

/HUMAN EXPOSURE STUDIES/ A modified Draize procedure /was performed/ to evaluate Quaternium-15 (5%) for sensitization in 183 healthy subjects. The test consisted of a series of ten 24-hour induction patches and a challenge patch following a 10- to 14-day nontreatment period. The induction patches were administered every other day, with a 24-hour rest between each application. One subject had a sensitization reaction at challenge.

/HUMAN EXPOSURE STUDIES/ A moisturizer containing Quaternium-15 (0.3%) was tested for irritancy in a 21-day cumulative irritation study. The moisturizer was applied to the same test site (on the back) of 10 individuals for 21 consecutive days. The test sites were covered with occlusive patches for 23 hours, rinsed, and then scored for irritation 1 hour later. A fresh patch was reapplied immediately after scoring. One panelist had barely perceptible erythema on day 3, and no other reactions were observed.

/HUMAN EXPOSURE STUDIES/ The evaluation of quaternium 15 ... for safety and efficacy as a cosmetic preservative is presented. The cmpd acted as an efficient preservative at concn of 0.05 to 2.0% in combination with parabens at 0.3%. Personal experience with numerous formulations has indicated no potential for skin or eye area irritation.

/HUMAN EXPOSURE STUDIES/ Exposure to wood dust & other chemicals used in particleboard manufacture may cause contact dermatitis. To assess the prevalence & nature of skin complaints in the refining & drying department of a particleboard manufacturing facility following introduction of a new process, workers were assessed by a physician, using a standardized questionnaire concerning symptoms, past and family history, workplace exposures, & use of protective equipment. Cutaneous examination & patch testing were then performed. Questionnaire results showed that workers complained of rash, nasal & eye irritation ... cough & bothersome odors ... Quaternium-15 (Dowicil 200) was the only allergen to which more than 1 individual reacted. Aside from the odours ... Allergic reactions on patch testing were few and did not explain the dermatitis; most skin reactions were irritant ...

For more Human Toxicity Excerpts (Complete) data for N-(3-CHLOROALLYL)HEXAMINIUM CHLORIDE (8 total), please visit the HSDB record page.

Artificial Pollution Sources · 1 件

N-(3-Chloroallyl)hexaminium chloride's production and use as a bactericide and preservative in latexes, paints, floor polishes, joint cements, adhesives, inks, and starches(1) may result in its release to the environment through various waste streams.(SRC).

Environmental Biodegradation · 1 件

AEROBIC: Using an activated sludge inoculum from a domestic sewage plant and an aerobic Sapromat apparatus protocol(1), 50-60% of initial N-(3-chloroallyl)hexaminium chloride (10 mg/L) was degraded after 1.5 days of incubation with 70% degradation after 2.5 days and 100% degradation after 7 days; at an initial concentration of 50 mg/L, degradation was 35, 40, 75, and 95-100% after 1.5, 2.5, 5.5, and 7 days of incubation, respectively(1). A Warburg respirometer study using an activated sludge inoculum observed 50, 145, and 165 mg/L oxygen consumed after 1, 4, and 6 days of incubation, respectively, using an initial N-(3-chloroallyl)hexaminium chloride concentration of 250 ppm; at 500, 750, and 1000 ppm initial concentrations, N-(3-chloroallyl)hexaminium chloride was toxic to the inoculum(2).

法規制情報

RCRA Requirements · 1 件

Based on the reviews of the generic data for the active ingredients Dowicil 75 and Dowicil 150, the Agency has sufficient information on the health effects of Dowicil CTAC and on their potential for causing adverse effects in fish and wildlife and the environment. The Agency has determined that Dowicil CTAC products, labeled and used as specified in this Reregistration Eligibility Decision, will not pose unreasonable risks or adverse effects to humans or the environment. Therefore, the Agency concludes that products containing Dowicil CTAC for all uses are eligible for reregistration.

FIFRA Requirements · 1 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 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. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride is found on List C. Case No: 3069; Pesticide type: antimicrobial; Case Status: RED Approved 03/95; OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride; Data Call-in (DCI) Date(s): 03/31/92; AI Status: OPP has completed a Reregistration Eligibility Decision (RED) for the case/AI.

安全データ

tsca
TSCA listed
毒性
LD50 (as 50% aq soln) in female rats, rabbits (mg/kg): 1552, 78.5 orally; in female rabbits (mg/kg): 565 dermally (cosmetic ingredient review)
有毒物質データの
4080-31-3(Hazardous Substances Data)

E40U03LEM0

QUATERNIUM-15

Established Pharmacologic Class [EPC] - Standardized Chemical Allergen

Physiologic Effects [PE] - Increased Histamine Release

Physiologic Effects [PE] - Cell-mediated Immunity

Chemical Structure [CS] - Allergens

Absorption, Distribution and Excretion · 1 件

Almost complete absorption of Quaternium-15 (84%-88% of dose) was achieved in 48 hours after oral administration, whereas only 1% to 2% absorption occurred in that time after dermal application of dilute or concentrated solutions; absorption rates were not determined.

用途と製造

Uses · 6 件

CIR ingredient: Quaternium-15

Quaternium-15 is a preservative used in cosmetics and in many industrial applications including latex paints, polishes and waxes, metalworking fluids, adhesives, paper, inks, etc. [Marks, 121-2] Dowicil 75 is one of the biocides commonly used in metalworking fluids. [Occupational Exposure to Metalworking Fluids. DHHS (NIOSH) Publication No. 98-102, 1998, Table 4-1] Used as a formaldehyde releaser in cleaning agents, paints, soaps, metalworking fluids, polishes, paper products, textile finishes, joint cements, and photocopier toner; [Kanerva, p. 405]

Metal Machining [Category: Heat or Machine]

For N-(3-chloroallyl)hexaminium chloride (USEPA/OPP Pesticide Code: 017901) 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./

Type of Pesticide: Microbicide/microbistat (slime forming bacteria and fungi). Use Sites: Aquatic non-food industrial: Secondary oil recovery injection water. Indoor non-food: Industrial adhesives and coatings; resin/latex/polymer emulsions; metalworking cutting fluids; oil recovery drilling muds/packer fluids; latex(in-can) paints; specialty industrial products; textiles/textile fibers/cordage; and wet-end additives/industrial processing chemicals.

Preservative in cosmetics, hair care products, soaps, adhesives

U.S. Production · 2 件

3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).[EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. 3,5,7-Triaza-1-azoniatricyclo

Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#6313]

Formulations/Preparations · 5 件

USEPA/OPP Pesticide Code 017901; Trade Names: Dowicil 100 (Name no longer in use), Cinartc 200, XD-1840, Dowicil 75, Dowicide Q, Quaternium 15, Dowco 184.

Formulation types registered: Type: End use; Form: solid.

DOWCO 184

DOWICIDE Q

For more Formulations/Preparations (Complete) data for N-(3-CHLOROALLYL)HEXAMINIUM CHLORIDE (7 total), please visit the HSDB record page.

Household Products · 2 件

Cosmetics product ingredient: Quaternium 15

Information on 103 consumer products that contain Quaternium-15 in the following categories is provided:

Use ClassificationCosmetics -> Preservative
General Manufacturing Information · 2 件

3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1): ACTIVE

The active ingredient Dowicil 75 contains both the cis-(0.53%) and the trans-(0.44%) isomers of 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride. The active ingredient Dowicil 150 contains only the cis-isomer of 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride.

応用分野

一般的な説明Cream-colored powder.

サプライヤー27 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

補足説明

定義本品は、次の化学式で表される4級アンモニウム塩である。

定義ChEBI: A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent.