Dowicil 75 | 4080-31-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: Dowicil 75
• 英文别名: 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
• CAS: 4080-31-3
• 化学式: C9H16ClN4+
• 分子量: 215.7
• InChiKey: LDLCEGCJYSDJLX-OWOJBTEDSA-N

物化性质

• 熔点：
  178-210 °C
• 沸点：
  396.43°C (rough estimate)
• 密度：
  1.2898 (rough estimate)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  1.347 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

在口服给药后48小时内，实现了季铵盐-15的几乎完全吸收（剂量的84%-88%），而在同一时间内，通过皮肤应用稀释或浓缩溶液的吸收率仅为1%至2%；未确定吸收率。季铵盐-15的放射性物质排泄呈双峰状，最初迅速（半衰期=1.3±0.1小时）然后缓慢（半衰期=22.7±2.0小时）。达到系统循环的季铵盐-15被广泛代谢。代谢程度受到给药途径的影响，因为通过皮肤应用后发现的环状衍生CO2仅有5%。唯一暂时确定的代谢物是甲酸（仅基于保留时间）。尽管在大鼠尿液中发现了其他几种代谢物，但尝试识别这些化合物的努力并未成功。

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.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 副作用

皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预防癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的干呕反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). 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 0.9% saline (NS) 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 ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放"，最低流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸林格氏液。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。使用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。 /Poisons 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 severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

人类暴露研究/对183名健康受试者进行了修改后的Draize程序，以评估Quaternium-15（5%）的致敏性。测试包括一系列十个24小时的诱导贴片，随后在一个10到14天的不治疗期间进行挑战贴片。诱导贴片每隔一天进行一次，每次应用之间有24小时的休息时间。一名受试者在挑战时出现了致敏反应。

/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.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

口服给药后48小时内实现了季铵盐-15（剂量84%-88%）的几乎完全吸收，而在相同时间内，稀释或浓缩溶液的皮肤应用仅吸收了1%到2%；并未确定吸收率。

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.

来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

类别：有毒物质

毒性分级：高毒

急性毒性：

• 口服（大鼠）LD50：500毫克/公斤

刺激数据：

• 皮肤（兔）：500毫克/24小时 轻度（有致敏作用）

可燃性危险特性： 在高温下分解并排出有毒的氮氧化物和氯化物烟雾。

储运特性： 库房应保持低温、通风干燥；与食品原料分开存放。

灭火剂： 使用水、二氧化碳、泡沫或干粉进行灭火。

文献信息

• Silver dihydrogen citrate compositions
  申请人：Arata B. Andrew

  公开号：US20060115440A1

  公开（公告）日：2006-06-01

  Personal care and home care compositions are disclosed, which include silver dihydrogen citrate. The inventive compositions advantageously take the form of suspensions, pastes, liquids and gels. The inventive compositions also optionally comprise additional ingredients, and are therefore suitable for a wide variety of personal, home and industrial care purposes.

  本发明涉及含有柠檬酸二氢银的个人护理和家庭护理组合物。本发明的组合物优点是可以采用悬浮液、糊状物、液体和凝胶的形式。本发明的组合物还可以选择性地包含其他成分，因此适用于各种个人、家庭和工业护理用途。
• Lubricant compositions having antimicrobial properties and methods for manufacturing and using lubricant compositions having antimicrobial properties
  申请人：Ecolab Inc.

  公开号：US20020028751A1

  公开（公告）日：2002-03-07

  A lubricant composition is provided. The lubricant composition includes a machinery lubricant and an antimicrobially effective amount of an antimicrobial agent. The antimicrobial agent exhibits a partition coefficient between water and the machinery lubricant of between about 0.01 and about 1,000, and the lubricant composition provides at least a two log reduction in bacteria in water in about two weeks or at least a two log reduction in mold and yeast in water in about one month from a concentration of bacteria of between 10 5 and 10 6 CFU/ml and a mold and yeast concentration of between about 10 5 and 10 6 CFU/ml. Methods for manufacturing and using a lubricant composition are provided. A method for manufacturing a lubricant composition is provided.

  提供了一种润滑剂组合物。该润滑剂组合物包括机械润滑剂和一种抗微生物有效量的抗微生物剂。该抗微生物剂在水和机械润滑剂之间表现出的分配系数为0.01至1,000之间，且该润滑剂组合物在约两周内可提供至少两个日志的细菌减少水中的细菌浓度为105至106CFU/ml，或在约一个月内可提供至少两个日志的模具和酵母减少水中的模具和酵母浓度为105至106CFU/ml。提供了制造和使用润滑剂组合物的方法。提供了一种制造润滑剂组合物的方法。
• USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES
  申请人：Mijolovic Darijo

  公开号：US20120157548A1

  公开（公告）日：2012-06-21

  Use of diols with a cycloaliphatic group as biocide.

  使用具有环脂族基的二元醇作为生物杀菌剂。
• Alkyletherisothiuroniumsalze, Verfahren zu deren Herstellung und deren Verwendung als Korrosionsinhibitoren und Mikrobiozide
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0032674A1

  公开（公告）日：1981-07-29

  Alkyletherisothiuroniumsalze der allgemeinen Formel worin R C8-C30-Alkyl, C8-C30-Alkenyl, C8-C30-Hydroxialkyl oder Phenyl oder Naphthyl, die durch 1 bis 3 C4-C12-Alkylgruppen substituiert sind, R, Wasserstoff, Methyl oder Ethyl, n Zahlen von 1 bis 20 und X ein Anion bedeutet, Verfahren zu deren Herstellung und deren Verwendung als Korrosionsinhibitoren und Mikrobiozide.

  通式如下的烷基醚异硫脲盐 其中 R 是被 1 至 3 个 C4-C12 烷基取代的 C8-C30 烷基、C8-C30 烯基、C8-C30 羟基烷基或苯基或萘基，R 是氢、甲基或乙基，n 是 1 至 20 的数字，X 是阴离子，它们的制备方法及其作为缓蚀剂和杀微生物剂的用途。
• Disposable semi-moist wipes
  申请人：Reckitt & Colman Inc.

  公开号：EP0273594A1

  公开（公告）日：1988-07-06

  A disposable article for one step interim cleaning of hard surfaces comprises a non-woven substrate, carrying an aqueous cleaning composition loaded onto the substrate at a level less than about 85%, preferably less than 75%, of its maximum absorbence capacity. The aqueous composition comprises: optionally, one or more nonionic surfactants, one or more anionic surfactants or mixture of nonionic and anionic surfactants; a water miscible solvent for oils, (preferably a low molecular weight alcohol or N-methyl-2-pyrrolidone); and an alkalinity agent, such as ammonium hydroxide, in sufficient amount to maintain the pH of the extracted solution within the range of 8 to 12. The non-woven substance is preferably a non-chemically bonded fibrous material.

  一种用于硬表面一步临时清洁的一次性用品包括一种无纺基材，基材上装载的水性清洁组合物的吸附量小于其最大吸附能力的 85%，最好小于 75%。 水性组合物包括：可选的一种或多种非离子表面活性剂、一种或多种阴离子表面活性剂或非离子和阴离子表面活性剂的混合物；一种水溶性油类溶剂（最好是低分子量醇或 N-甲基-2-吡咯烷酮）；以及一种碱化剂，如氢氧化铵，其用量足以将提取溶液的 pH 值保持在 8 至 12 的范围内。 无纺物质最好是一种非化学键合的纤维材料。