化工社化工社 化学情報印刷レポート · 研究参考用
ポリジアリルジメチルアンモニウムクロライド
ジアリルジメチルアンモニウムクロリド重合物 · ポリジアリルジメチルアンモニウムクロライド · ポリ（ジアリルジメチルアンモニウムクロライド） · ポリクオタニウム－６ · 0.0025N ポリ(塩化ジアリルジメチルアンモニウム)溶液 · ポリ(塩化ジアリルジメチルアンモニウム) 20%溶液 · POLY(DIALLYL DIMETHYL AMMONIUM CHLORIDE) [MW 〜 8,500], 28 WT. % IN H2O · POLY(DIALLYLDIMETHYLAMMONIUM CHLORIDE) [MW 〜 240,000], POWDER
識別子と物理属性
| CAS No. | 26062-79-3 |
|---|---|
| 分子式 | C8H16ClN |
| 平均分子量 | 161.67 g/mol |
| 単同位体質量 | 161.0971272 g/mol |
| SMILES | C=CC[N+](C)(C)CC=C.[Cl-] |
| InChIKey | GQOKIYDTHHZSCJ-UHFFFAOYSA-M |
| PubChem CID | 33286 |
| ChEMBL | CHEMBL3185104 |
| EC No. | 230-993-8 |
| 現地名 | ポリジアリルジメチルアンモニウムクロライド |
化学・物理的性質
| 極性表面積 | 0 |
|---|---|
| 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 | 4 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 91 |
| LogP（分配係数） | log Kow = -2.49 /Estimated/ |
| Color/Form | Solid |
| 溶解度 | Miscible /Estimated/ |
| 蒸気圧 | 0.00000353 [mmHg] |
| Physical Description | LiquidSolid[HSDB] |
| 自然発火温度 | >200 °C. |
| 沸点 | 100° |
| 密度 | 1.09 g/mL at 25 °C |
| 屈折率 | n20/D 1.417 |
| 引火点 | 100 °C |
| 貯蔵条件 | Store at room temperature, keep dry and cool |
| pKa（酸解離定数） | 12 (approx) |
| 外観・状態 | viscous liquid |
| 安定性 | 安定。強力な酸化剤、鉄および鉄塩、鋼、銅、銅合金、アルミニウムとは相容れない。 |
| 化粧品成分の機能 | 帯電防止フィルム形成 |
| InChI | 1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H31H/q+1/p-1 |
| InChIKey | GQOKIYDTHHZSCJ-UHFFFAOYSA-M |
| SMILES | [N+](C)(C)(CCCCCC[N+](C)(C)CCC*)CCCCCC[N+](C)(C)CCC*.[Cl-].[Cl-].[Cl-] |$$| |
| LogP（分配係数） | -2.301 (est) |
| CAS データベース | 26062-79-3 |
| EPAの化学物質情報 | Poly(dimethyl diallyl ammonium chloride) (26062-79-3) |
化学的特性
liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 61.9% (380 of 614) of all reports.H412 (36%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 614 reports by companies from 7 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 380 of 614 reports by companies.There are 5 notifications provided by 234 of 614 reports by companies with hazard statement code(s).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. |
|---|---|
| 規制情報 | Chemical: 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, 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: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/146912-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | IMAP assessments - 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride: Human health tier I assessment |
| 有害性の概要 | Adverse effects after intermittent oral doses of 42 grams/kg over 6 weeks include weight loss and changes in the liver and renal tubules[RTECS] An irritant[MSDSonline] |
| Special Reports | The U.S. high production volume (HPV) chemicals are those which are manufactured in or imported into the United States in amounts equal to or greater than one million pounds per year. Robust Summaries include health effects, ecotoxicity data, and environmental fate information for selected chemicals. EPA/Office of Pollution Prevention and ToxicsHigh Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Available from: http://www.epa.gov/chemrtk/viewsrch.htm on Diallyldimethylammonium Chloride as of November 10, 2004. |
| Hazard Classes and Categories | Aquatic Chronic 3 (36%) |
| 消火手順 | This product does not burn in aqueous solution. No special precautions are required. In case of fire, wear a self contained breathing apparatus. Keep containers cool during fire with water spray. |
| 保管条件 | Store in contact with air. Do not exceed storage temperature of 30 °C. Protect from light. |
| 清掃方法 | In case of accidental release, do not allow product to enter drains. Do not contaminate water. Dam up spills. Soak with inert absorbent material. If liquid has been spilled in large quantities, clean up promptly by scoop or vacuum. Keep in suitable and closed containers for disposal. After cleaning, flush area with water. |
| 処分方法 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure 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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Preventive Measures | Avoid all contact with the product by ingestion, inhalation or contact with the skin, eyes and clothing. Do not breath vapors or spray mist. Wash hands and face before breaks and immediately after handling the product. When using, do not smoke. Handle in accordance with good industrial hygiene and safety practice. |
| Protective Action Criteria (PAC) | 7.6 [mg/m3]83 [mg/m3]500 [mg/m3] |
| 生態毒性値 | LC50 Dreissena polymorpha (Zebra mussel5-8 mm and 20-25 mm shell length) >50 mg/L/48 hrstatic, pH 7.7, alkalinity... 30 mg/L as CaCO3, total hardness 40 mg/L as CaCO3, temperature 17 °CLC50 Ictalurus punctatus (Channel catfish) 1.9 mg/L/48 hr (95% confidence interval: 1.58-2.28 mg/L)LC50 Oncorhynchus mykiss (Rainbow trout) 640 ug/L/48 hr (95% confidence interval: 530-770 ug/L)LC50 Obliquaria reflexa (Three-horned wartyback) >50 mg/L/48 hrFor more Ecotoxicity Values (Complete) data for DIALLYLDIMETHYLAMMONIUM CHLORIDE (8 total), please visit the HSDB record page. |
| 生態毒性抜粋 | /AQUATIC SPECIES/ Groups of 10 or 20 fresh water Blue Gill Sunfish (Lepomis macrochirus) were exposed in a reconstituted medium at 64-69 °F for 96 hours. The pH was carefully monitored throughout the study. Concentrations of 0.0 (20 fish), 1.0 (10 fish), 10 (10 fish), 18 (10 fish), 24 (20 fish), 32 (20 fish), and 56.0 mg/L (10 fish) of test substance were used. Fish mortality was measured after 24, 48 and 96 hours. The only toxic sign observed was at 56 mg/L of diallyldimethylammonium chloridesome of the fish appeared slightly less active than the other fish in the study. |
| Non-Human Toxicity Excerpts | /LABORATORY ANIMALS: Acute Exposure/ 0.5 mL of undiluted test material was applied under a one inch square surgical gauze patch to 2 intact areas of skin on each of 6 New Zealand White rabbits. The application sites were prepared by clipping the hair from the saddle areas of the rabbits. Each patch was held in place by 2 one inch strips of adhesive tape. After application of the patches, the trunk of each rabbit was wrapped with rubber dental damming which was secured with staples. The animals were secured in Newmann harnesses for 4 hours. After 4 hours, the patches were removed and any residual material was removed. The reactions were scored immediately after the removal of the patches (4-hr reading) and again at 24 and 48 hours after initial application. Following dorsal application, irritative effects noted at the 24-hr reading included very slight erythema at one intact and one abraded site. The Primary Irritation Index (PII) was found to be 0.09. Following ventral application, no irritative effects were noted at the 24-hr reading. However, at the 72-hr reading, very slight erythema was noted at one abraded site. No other irritative effects were noted at any time throughout the study. The Primary Irritation Index (PII) was found to be 0.04. Following patch application, no irritative effects were noted at any time throughout the study./LABORATORY ANIMALS: Acute Exposure/ 0.1 mL of the undiluted sample was applied to the right eye of each of 6 New Zealand White rabbits. The left eyes were untreated and served as controls. Examinations for gross signs of eye irritation were made at 24, 48 and 72 hours following application. ...Irritative effects noted at the 24-hr reading following application included slight to moderate conjunctival erythema and slight conjunctival discharge in 3 rabbits. At the 48-hr reading slight to moderate conjunctival erythema was noted in 3 rabbits. At the 72-hr reading slight conjunctival erythema was noted in 1 rabbit. No corneal opacity or iritis was noted. DADMAC was determined to be not irritating to eyes in this assay./LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Groups of 4 male and 4 female purebred beagle dogs, averaging 3 to 4 months old, were fed diets containing 50, 200, or 800 mg/kg/day of DADMAC monomer. Diets were adjusted to deliver specified doses of monomer in a 350 gram meal. The dogs were carefully observed for 13 weeks. Samples were taken for clinical chemistry and hematology at 45 days and at termination. All dogs were necropsied and histopathology performed. At 800 mg/kg/day, there was a decrease in body weight gain. Otherwise there were no treatment related effects in this study. ...The NOAEL in dogs was 200 mg/kg based on decreased body weight gain in the 800 mg/kg group./LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Groups of 15 male and 15 female rats of unspecified strain were fed diets containing 5, 50 or 500 mg/kg of DADMAC monomer. 5 animals per group were sacrificed at 4, 8 and 13 weeks for histopathology. In the high dose group, a significant decrease in body weight gain was observed. No significant treatment related histopathology was observed in this study. The NOAEL was determined to be 50 mg/kg/day based on body weight gain. A hexibarbitone sleeping time study was included in this study to assess drug metabolizing enzymes. There was no treatment related effect on hexabarbitone sleeping time. ...The NOAEL for this study is 50 mg/kg/day.For more Non-Human Toxicity Excerpts (Complete) data for DIALLYLDIMETHYLAMMONIUM CHLORIDE (11 total), please visit the HSDB record page. |
| Antidote and Emergency Treatment | If product is inhaled, move to fresh air. In case of skin contact, rinse and wash contaminated clothing before re-use. Wash contaminated area immediately for at least 15 minutes. In case of persistent skin irritation, consult a physician. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. Keep eye wide open while rinsing and lift upper and lower lids to ensure complete removal of chemical. In case of persistent eye irritation, consult a physician. If swallowed, do not induce vomiting. Rinse mouth (never give anything by mouth to an unconscious person). Call a physician immediately.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/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/ |
| Non-Human Toxicity Values | LD50 Rat (Wistar) oral 3930 mg/kgLD50 Rat (Sprague-Dawley) oral 2520 mg/kg |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | BP6360000 |
| 毒性 | LD50 oral in rat: 3gm/kg |
| 危険文句（R） | 36/37/38 |
| 化審法 | 一般化学物質 |
| 安全措置（S） | 26-36 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
Polyquaternium 6 is used as a coagulant aid in water treatment.
一般的な説明
Poly(diallyldimethylammonium chloride) solution (PDADMAC) is a cationic polyelectrolyte that is widely utilized as a flocculant. It is prepared by the radical polymerization of diallyldimethylammonium chloride (DADMAC) in presence of a catalyst in the form of an organic peroxide.
製法・合成法
純化方法
Precipitate it from water with acetone, and dry the salt in a vacuum for 24hours. [Hardy & Shriner J Am Chem Soc 107 3822 1985.]