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伊默宁 | 52304-36-6

中文名称
伊默宁
中文别名
3-(N-正丁基-N-乙酰基)-氨基丙酸乙酯(BAAPE);丁基乙酰氨基丙酸乙酯;驱蚊酯;驱虫剂3535;爽肤宝;3-(N-正丁基-N-乙酰基)-氨基丙酸乙酯;BAAPE;3-(N-正丁基-N-乙酰基)氨基丙酸乙酯
英文名称
Ethyl Butylacetylaminopropionate
英文别名
ethyl 3-[acetyl(butyl)amino]propanoate
伊默宁化学式
CAS
52304-36-6
化学式
C11H21NO3
mdl
MFCD00214076
分子量
215.29
InChiKey
VZRKEAFHFMSHCD-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    <-20°
  • 沸点:
    bp0.2 108-110°; bp0.5 126-127°
  • 密度:
    0.987±0.06 g/cm3(Predicted)
  • 闪点:
    318°F (159°C)
  • 溶解度:
    可溶于乙腈(少量)、氯仿(少量)、乙酸乙酯(少量)、甲烷
  • LogP:
    1.650 (est)
  • 颜色/状态:
    Colorless to slightly yellowish liquid
  • 气味:
    Almost odorless
  • 蒸汽压力:
    0.15 Pa /1.1X10-3 mm Hg/ at 20 °C
  • 稳定性/保质期:

    Stable under recommended storage conditions.

  • 折光率:
    Index of refraction = 1.452-1.455 at 20 °C/D

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    15
  • 可旋转键数:
    8
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.818
  • 拓扑面积:
    46.6
  • 氢给体数:
    0
  • 氢受体数:
    3

ADMET

毒理性
  • 毒性总结
识别和使用:EBAAP是一种无色至微黄色的液体。它是一种用于人体皮肤和衣服的驱虫剂,可以驱赶蚊子、苍蝇和蜱虫。它至少能提供8小时对白纹伊蚊的高效保护,至少5小时对雪背库蚊、三带喙库蚊、致倦库蚊、环蚊、常型曼蚊、环纹曼蚊、环带曼蚊、微小按蚊和斑点按蚊的保护。这清楚地证明了它作为一种局部治疗,对抗属于多个属的多种蚊子的潜力。人类暴露和毒性:在30名志愿者身上进行了使用15%活性成分的闭合型皮肤刺激性测试。没有观察到皮肤反应。在10名志愿者身上进行了使用15%活性成分的重复暴露测试,每周两次,持续3周(诱导期);12天休息;然后进行第7次应用(挑战)。没有观察到毒性或过敏反应。动物研究:10%的乙醇溶液应用于10只豚鼠剃光的颈背部区域。在紫外线暴露和未暴露的部位都没有观察到红斑或肿。未稀释的EBAAP应用于剃光的大鼠背部皮肤(6小时暴露;恢复期14天),最高剂量达到10 mL/kg体重,没有观察到系统性反应;所有剂量平都出现了红斑。杂种狗通过灌胃给予未稀释的EBAAP,剂量为1、2、4和8 g/kg体重。所有动物存活;2 g/kg体重或更高的剂量在30-60分钟后引起呕吐,随后在20-30分钟后引起流涎。EBAAP通过灌胃口服给予母兔,剂量为999 mg/kg/天。治疗8天后,治疗组的2只动物血压低于对照组的2只动物。治疗影响了各种血清化学参数。对治疗动物的组织病理学评估揭示了胃粘膜和肠道的出血和糜烂,肝细胞的空泡变性,肾脏鲍曼空间的蛋白沉积。还注意到一只兔子的骨髓萎缩。人工授精的母兔在妊娠第7天至第19天通过灌胃口服给予0、100、300或600 mg/kg/天的EBAAP。没有观察到对母兔的治疗相关影响。同样,对胎儿发育也没有观察到治疗相关影响。将S. typhimurium菌株TA 98、TA 100、TA 102、TA 1535和TA 1537以及E. coli WP2 uvrA在37°C下用EBAAP处理48小时,浓度从5到5000 ug/盘,有和没有代谢激活。没有观察到逆突变发生率的增加。生态毒性研究:没有发现EBAAP干扰鱼类和蚤的化学通讯的证据。
IDENTIFICATION AND USE: EBAAP is a colorless to slightly yellowish liquid. It is an insect repellent for application to human skin and clothing to repel mosquitoes, flies and ticks. It provides high level of protection for at least 8 hr against Ae. albopictus and for at least 5 hr against C. gelidus, C. tritaeniorhynchus, C. quinquefasciatus, Mansonia dives, M. uniformis, M. annulata, M. annulifera, Anopheles minimus, and An. maculatus. This clearly documents the potential for its use as a topical treatment against a wide range of mosquito species belonging to several genera. HUMAN EXPOSURE AND TOXICITY: Closed epicutaneous irritation test using 15% a.i. was performed in 30 human volunteers. No skin reactions were observed. Repetitive exposure test using 15% a.i. was performed in 10 human volunteers 3 wk at twice/wk (induction phase); 12 d break; then 7th application (challenge). No toxic or allergic reactions were observed. ANIMAL STUDIES: 10% solution in ethanol was applied to shaven nuchal area of 10 guinea pigs. No erythema or edema observed at UV-exposed and unexposed sites. Undiluted EBAAP was applied to shaven dorsal skin (6 hr exposure; recovery period 14 d) of rats. Up to 10 mL/kg bw no systemic reactions observed; erythemas at all dose levels. Mongrel dogs were given undiluted EBAAP by gavage at 1, 2, 4 and 8 g/kg bw. All animals survived; doses of 2 g/kg bw or more induced vomiting after 30-60 minutes followed by salivation after 20-30 minutes. EBAAP was administered orally by gavage at a dose of 999 mg/kg/day to female rabbits. Blood pressure was lower for the 2 treated animals than for the 2 control animals (determined after 8 days of treatment). Various serum chemistry parameters were affected by the treatment. Histopathological evaluation of the treated animals revealed hemorrhages and erosions in the gastric mucosa and intestinal tract, vacuolar degeneration of parenchymal cells and hemosiderosis in the liver, deposition of protein in the Bowman's space of the kidney. Atrophy of the bone marrow was also noted for one rabbit. Artificially inseminated female rabbits were treated orally by gavage with 0 100, 300, or 600 mg/kg/day of EBAAP from day 7 through day 19 of gestation. No treatment-related effects on the does were evident. Likewise, no treatment-related effects were noted on development of the fetuses. S. typhimurium strains TA 98, TA 100, TA 102, TA 1535, and TA 1537 and E. coli WP2 uvrA were treated for 48 hours at 37 °C with EBAAP at concentrations ranging from 5 to 5000 ug/plate with and without metabolic activation. There was no treatment-related increase in the incidence of reverse mutation. ECOTOXICITY STUDIES: No evidences for disruption of the chemical communication of fish and Daphnia by EBAAP were found.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 在妊娠和哺乳期间的影响
哺乳期间使用总结:目前没有关于哺乳期间临床使用驱虫剂M 3535(IR3535)的已发布信息。然而,美国疾病控制与预防中心和环境保护局认为,按照指示使用时,IR3535在哺乳期间是安全有效的。哺乳期妇女应使用该产品,以避免接触由蚊子传播的病毒。[1] 避免直接涂抹在乳头和其他婴儿可能会直接摄入产品的区域。 对哺乳婴儿的影响:截至修订日期,没有找到相关的已发布信息。 对泌乳和母乳的影响:截至修订日期,没有找到相关的已发布信息。
◉ Summary of Use during Lactation:No published information is available on the clinical use of insect repellent M 3535 (IR3535) during breastfeeding. However, the Centers for Disease Control and Prevention and U.S. Environmental Protection Agency consider IR3535 to be safe and effective during breastfeeding when used as directed. It should be used by breastfeeding women to avoid exposure to mosquito-borne viruses.[1] Avoid application directly to the nipple and other areas where the infant might directly ingest the product. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.
来源:Drugs and Lactation Database (LactMed)
毒理性
  • 解毒与急救
/SRP:/ 立即急救:确保已经进行了充分的中和。如果患者停止呼吸,请开始人工呼吸,最好使用需求阀复苏器、球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 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。监测肺肿,如有必要,进行治疗……。监测休克,如有必要,进行治疗……。预期可能出现癫痫,如有必要,进行治疗……。对于眼睛污染,立即用冲洗眼睛。在运输过程中,用0.9%的生理盐(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,则用温冲洗口腔,并给予5毫升/千克,最多200毫升的进行稀释……。在去污后,用干燥的无菌敷料覆盖皮肤烧伤……。/毒物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。使用气囊阀面罩装置的正压通气技术可能有益。考虑使用药物治疗肺肿……。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5%葡萄糖溶液(D5W),滴定观察。如果出现低血容量的迹象,使用0.9%生理盐(NS)或乳酸钠林格氏液(LR)。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……。使用地西泮安定)或劳拉西泮(阿蒂万)治疗癫痫……。使用丙美卡因化物协助眼部冲洗……。/毒物A和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 TKO. Use 0.9% saline (NS) or lactated Ringer's (LR) 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 (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 危险类别码:
    R52
  • 海关编码:
    29241990

制备方法与用途

概述

驱蚊酯又称丁基乙酰丙酸乙酯BAAPE、IR3535或伊默宁,是一种塑化剂,也是广谱、高效的低毒昆虫驱避剂。

优点

溶性驱蚊酯BAAPE)相比传统的避蚊胺DEET),具有更好的驱蚊效果。此外,它还具有较低的刺激性和无皮肤渗透性的优点。

用途

驱蚊酯常用于化妆品和药剂中,可制成溶液、乳剂、油膏、涂敷剂、冻胶、气雾剂、蚊香、微胶囊等专用驱避药剂。同时,也可以添加到其他制品或材料中(如花露、驱蚊等),使其兼具驱避作用。

作用

驱蚊酯是一种广谱、高效的昆虫驱避剂,对苍蝇、虱子、蚂蚁、蚊子、蟑螂、蠓虫、牛虻、扁蚤、沙蚤、沙蠓、白蛉和蝉等多种害虫均有良好的驱避效果。它的驱避作用时间较长,在不同气候条件下都能使用。此外,在使用条件下其化学性质稳定,具有较高的热稳定性和耐汗性。

文献信息

  • Flavonoid derivative
    申请人:Buchholz Herwig
    公开号:US20070134172A1
    公开(公告)日:2007-06-14
    The invention relates to a novel flavonoid derivative, to an extract comprising the flavonoid derivative, to the cosmetic and pharmaceutical use thereof, to preparations comprising the flavonoid derivative or extract, and to a process for the preparation of the flavonoid derivative or extract.
    这项发明涉及一种新型黄酮生物,一种包含该黄酮生物提取物,以及其在化妆品和药用方面的使用,包括含有该黄酮生物提取物的制剂,以及一种制备该黄酮生物提取物的方法。
  • Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters
    申请人:Richard Hervé
    公开号:US20100183529A1
    公开(公告)日:2010-07-22
    Photostable cosmetic compositions contain, formulated into a cosmetically acceptable vehicle, at least one UV-screening system that includes: (a) at least one dibenzoylmethane compound, and (b) at least one 2-pyrrolidinone-4-carboxy ester compound having the following formula (I): in which: R 1 is a linear or branched C 1 -C 20 alkyl radical, and R 2 is a linear or branched C 1 -C 20 alkyl radical which optionally includes a C 5 -C 6 ring member, the phenyl radical, the benzyl radical or the phenethyl radical.
    光稳定的化妆品组合物包含至少一种紫外线屏障系统,配制成化妆上可接受的载体,其中包括: (a) 至少一种二苯甲酮化合物,以及 (b) 具有以下式(I)的至少一种2-吡咯烷酮-4-羧酯化合物: 其中: R1是线性或支链的C1-C20烷基基团,以及 R2是线性或支链的C1-C20烷基基团,可选地包括一个C5-C6环成员,苯基基团,苄基基团或苯乙基基团。
  • ALPHA-AMINO ACID DERIVATIVES FOR IMPROVING SOLUBILITY
    申请人:Rudolph Thomas
    公开号:US20110039924A1
    公开(公告)日:2011-02-17
    The invention relates to the use of α-amino acid derivatives for improving the solubility of poorly soluble substances in water or aqueous solutions and to mixtures and preferred preparations.
    这项发明涉及使用α-氨基酸生物来提高溶液中难溶物质的溶解度,以及混合物和优选制剂。
  • SYSTEM FOR PROTECTING GOODS DURING TRANSPORT
    申请人:Stutz Susanne
    公开号:US20120328685A1
    公开(公告)日:2012-12-27
    A system for protecting stored goods in a container ( 10 ), comprises a cage-like structure ( 20 ) formed by at least one pesticide treated net ( 22 ), capable of enclosing the stored goods, wherein the cage like structure ( 20 ), further comprises means for suspending the pesticide treated nets ( 14, 28, 30, 32, 34 ), and means for opening and closing the cage-like structure ( 26 ) on at least one section ( 24 ) of the at least one net ( 22 ). The system is particularly useful for the transport of tobacco, coffee, dried fruits, cocoa, nuts, tea, cereals, vegetables, spices and animals.
    一个用于保护集装箱(10)中存放货物的系统,包括由至少一种经过杀虫剂处理的网(22)形成的类似笼子的结构(20),能够围住存放的货物,其中类似笼子的结构(20)进一步包括用于悬挂经过杀虫剂处理的网(14、28、30、32、34)的手段,以及用于在至少一种网(22)的至少一部分(24)上打开和关闭类似笼子结构(26)的手段。该系统特别适用于烟草、咖啡、干果、可可、坚果、茶叶、谷物、蔬菜、香料和动物的运输。
  • [EN] 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL<br/>[FR] COMPOSÉ 3'-CÉTOGLYCOSIDE POUR LA LIBÉRATION LENTE D'UN ALCOOL VOLATIL
    申请人:GLYCOSCIENCE S L
    公开号:WO2021160670A1
    公开(公告)日:2021-08-19
    The present invention relates to a 3'-ketoglycoside compound defined by formula (I) and its use for controlled release of alcohols, in particular alcohols showing an insect repellent effect. It relates also to a process for preparing the 3'-ketoglycoside compound of formula (I). It further relates to a composition comprising a 3'- ketoglycoside compound of formula (I). It relates also to the use of a 3'-ketoglycoside compound of formula (I) for the controlled release of alcohols. It related also to a method of use of such composition.
    本发明涉及由式(I)定义的3'-酮基糖苷化合物及其用于控制释放醇,特别是显示驱虫效果的醇。它还涉及制备式(I)的3'-酮基糖苷化合物的方法。此外,它还涉及包含式(I)的3'-酮基糖苷化合物的组合物。它还涉及使用式(I)的3'-酮基糖苷化合物来控制释放醇。它还涉及使用这种组合物的方法。
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同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[[[(1R,2R)-2-[[[3,5-双(叔丁基)-2-羟基苯基]亚甲基]氨基]环己基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,4R)-Boc-4-环己基-吡咯烷-2-羧酸 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-N,3,3-三甲基-N-(苯甲基)丁酰胺 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S)-2-氨基-3,3-二甲基-N-2-吡啶基丁酰胺 (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,5R,6R)-5-(1-乙基丙氧基)-7-氧杂双环[4.1.0]庚-3-烯-3-羧酸乙基酯 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素(1-6) 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸