sodium new houttuyfonate | 1847-58-1

• 物质功能分类: 表面活性剂 - 阳离子表面活性剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: sodium new houttuyfonate
• 英文别名: Sodium lauryl sulfoacetate；sodium;2-dodecoxy-2-oxoethanesulfonate
• CAS: 1847-58-1
• 化学式: C₁₄H₂₇O₅S*Na
• 分子量: 330.421
• InChiKey: UAJTZZNRJCKXJN-UHFFFAOYSA-M

物化性质

• 熔点：
  >142°C (dec.)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）
• LogP：
  4.054 (est)
• 颜色/状态：
  Powder
• 气味：
  Faint lauryl alcohol odor
• 味道：
  Slightly acrid taste
• 密度：
  Specific gravity: 0.55
• 分解：
  When heated to decomposition it emits toxic fumes of /sulfur oxide/.
• 表面张力：
  30.1 dynes/cm (0.1% solution)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  91.9
• 氢给体数：
  0
• 氢受体数：
  5

ADMET

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，协助通气。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……。预见并处理癫痫发作……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。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/

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/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于昏迷、严重肺水肿或呼吸停止的患者，考虑进行口咽或鼻咽插管以控制气道。使用带有气囊面罩的装置进行正压通气技术可能有益。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”，最低流速...。如果出现低血容量的迹象，使用乳酸钠林格液。注意液体过载的迹象。考虑使用药物治疗肺水肿...。对于伴有低血容量迹象的低血压，谨慎输注液体。注意液体过载的迹象...。用安定（Valium）治疗癫痫...。使用丙美卡因氢氯化物协助眼部冲洗...。/毒药A和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/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

/人体暴露研究/ 评估了含有0.7% w/v月桂基硫代乙酸钠的水溶液对16个受试者的皮肤刺激性潜力。测试溶液在封闭贴片下涂抹于背部肩胛区域，持续48小时。在检查处理过的皮肤后，将测试物质重新涂抹到同一部位，进行第二个48小时周期（总月桂基硫代乙酸钠暴露时间为96小时）。皮肤反应按照0（无可见反应）到4+（重度红斑、水肿和疱状糜烂）的等级进行评分。在皮肤反应为1+的个人中，不再进行进一步的应用。在初次暴露后48小时和96小时评估测试部位的皮肤红斑和水肿。在48小时评估时，4个受试者没有皮肤反应（得分为0），9个有轻度红斑（得分为1+），3个有重度红斑（得分为2+）。在96小时时，3个受试者没有皮肤反应，9个有轻度皮肤红斑，1个有重度皮肤红斑，3个受试者没有得分，因为它们没有用第二个贴片进行治疗。

/HUMAN EXPOSURE STUDIES/ The skin irritation potential of an aqueous solution containing 0.7% w/v Sodium lauryl sulfoacetate was evaluated in 16 subjects. The test solution was applied for 48 hr under an occlusive patch to the scapular region of the back. Following examination of the treated skin, the test material was reapplied to the same site for a second 48 hr period (total sodium lauryl sulfoacetate exposure, 96 hr). Skin responses were graded on a scale of 0 (no visible reaction) to 4+ (intense erythema, edema, and vesicular erosion). In those individuals who had skin reactions of 1+, no further applications were made. Test site were evaluated for skin erythema and edema at 48 and 96 hr after the initial exposure. At the 48 hr evaluation, 4 subjects had no skin reaction (score 0), 9 had mild erythema (score, 1+), and 3 had intense erythema (score, 2+). At 96 hr, three subjects had no skin reaction, 9 had mild skin erythema, 1 had intense skin erythema, and 3 subjects had no score because they were not treated with a second patch.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

在临床研究中，以0.18%和0.7%的水溶液浓度，月桂基硫代乙酸钠对皮肤有轻微到强烈的刺激性。在一项重复贴片试验中，152名受试者中有79人在接触0.18%月桂基硫代乙酸钠水溶液时出现皮肤反应；然而，这些反应被认为是非过敏性的性质。一种含有35%月桂基硫代乙酸钠的沐浴产品，在按原样使用的研究中或在稀释到1%或2%的水溶液中对人类皮肤有刺激性，但不过敏。

/HUMAN EXPOSURE STUDIES/ In clinical studies, sodium lauryl sulfoacetate was a mild to strong skin irritant at concentrations in aqueous solution of 0.18 and 0.7%. In one repeated insult patch test with 152 panelist, 79 subjects developed skin reactions at challenge to 0.18% sodium lauryl sulfoacetate in aqueous solution; however, these reactions were considered nonallergic in nature. ... A bath product formulated with 35% sodium lauryl sulfoacetate and tested as-is in an in-use study or diluted to 1 or 2% in aqueous solution was irritating but nonsensitizing to human skin.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：急性暴露/ 将10只雌性哈兰威斯特大鼠（体重115-135克）分为一组，给予单次口服剂量（5-14克浴添加剂/千克）的浴添加剂（含有50%的月桂基硫酸酯）作为35%的水溶液。观察到腿部无力、右旋反射迟钝、共济失调、多尿和腹泻。大多数死亡发生在治疗后的4-24小时内。/浴添加剂溶液中的月桂基硫酸酯/

/LABORATORY ANIMALS: Acute Exposure/ Groups of 10 female Harlan Wistar rats (115-135 g) were given single oral doses (5-14 g bath additive/kg) of a bath additive (containing 50% sodium lauryl sulfoacetate) as a 35% aqueous solution. Leg weakness, obtunded righting reflex, ataxia, diuresis and diarrhea were observed. Most deaths occurred 4-24 hr after treatment. /Sodium lauryl sulfoacetate in bath additive solution/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

十二烷基硫酸酯钠可以通过豚鼠皮肤被吸收。两组各6只雌性断奶豚鼠分别浸泡在0.2%十二烷基硫酸酯钠水溶液或蒸馏水中，每天4小时，连续3天。... 在每次浸泡前后以及最终浸泡后24小时共取血样7次。.... 血液中十二烷基硫酸酯钠的浓度在每次浸泡结束时达到最高，且随着每次后续浸泡而增加。

Sodium lauryl Sulfoacetate can be absorbed through guinea pig skin. Two groups of 6 female weanling guinea pigs were immersed in either 0.2% aqueous sodium lauryl sulfoacetate or distilled water for 4 hr on 3 consecutive days. ... Seven blood samples were taken before and after each immersion and 24 hr after the final immersion. ....The blood concentrations of sodium lauryl sulfoacetate reached a maximum at the end of each immersion, which increased with each subsequent immersion.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2914509090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

制备方法与用途

背景

从天然鱼腥草中提取的具有抗菌活性的有效成分鱼腥草素（化学名称为癸酰乙醛）已广泛应用于临床。国内新合成的一种类似物质——新鱼腥草素钠（化学名称为十二酰乙醛亚硫酸氢钠），与癸酰乙醛在药理作用和疗效上基本相似，同样具备抗菌、抗病毒、增强机体免疫功能、抗炎、利尿及抗钩端螺旋体的作用。

简介

新鱼腥草素钠是由新鱼腥草素与亚硫酸氢钠的加成物组成。由于新鱼腥草素为油状物不易溶于水，因此通过加入亚硫酸氢钠来提高其溶解度。然而，在溶液状态保存过程中，该物质容易析出，导致临床应用中不良反应增加；此外，新鱼腥草素钠对光敏感，可能导致药品变质。

临床应用

这种药物在临床上广泛用于治疗呼吸系统疾病、妇科疾病、消化系统疾病、外科疾病及五官科疾病等多种病症。

应用领域

鱼腥草素钠是从三白草科植物蕺菜的全草挥发油中提取的一种醛类成分的化学合成物。它对肺炎双球菌、伤寒杆菌、金黄色葡萄球菌、大肠杆菌和孢子丝菌等有明显的抑制作用，能提高机体免疫力，增强患者白细胞的吞噬功能，并提高血清备解素水平及非特异性免疫能力。新鱼腥草素钠注射液常用于治疗附件炎、盆腔炎、慢性宫颈炎等多种妇科炎症，以及上呼吸道感染、慢性支气管炎和肺炎等病症。

制备方法

(1) 取椰子油3500g，置一搪瓷容器中，分别加入氢氧化钠750g和硫酸250g，经皂化和酸化后，在150℃、压力120mmHg的条件下进行减压分馏制得十二酸；

(2) 制备钙盐：取经过筛石灰1800g加水2500ml搅拌成糊状。另将十二酸500g加热溶解于1万ml瓷桶中，然后加入冰乙酸2500g混合均匀，倒入石灰糊中不断搅拌，制得钙盐并放置过夜；

(3) 制备混酮：将所制得的钙盐装入裂解罐内，直火加热裂解10小时，得到约750ml混酮；

(4) 十三酮-2制备（分馏）：取混酮1000ml置于圆底烧瓶中，加入2～3粒玻璃珠以防止瀑沸。连接分馏装置后加热（温度控制在150℃、压力控制在120mmHg），进行减压蒸馏，并收集相应的馏分称重即得十三酮-2；

(5) 十二酰乙醛钠盐制备：将十三酮-2 200g、甲酸乙酯750g及无水苯1000ml混合于5000ml三角烧瓶中。分次加入碎切的125g金属钠，充分振摇并保持反应液在25℃室温下放置过夜，即得十二酰乙醛钠盐；

(6) 十二酰乙醛亚硫酸氢钠加成：用水提取上述产物4次（每次2000ml×2，1000ml×2），合并水提液。另取750g NaHSO3溶解于1500ml水中，并与冰乙酸混合。将混合物加入上述水提液中立即生成白色沉淀并搅拌均匀放置过夜后过滤，滤干的沉淀倒入瓷桶内，用50％乙醇8000ml置水浴中加热煮沸后过滤。滤液在水浴中再次加热煮沸后进行重结晶，并抽滤至干。使用约1500ml乙醚分次洗涤，再用水洗至洁白并干燥于80℃下即为新鱼腥草素钠。

生物活性

Sodium lauryl sulfoacetate 是一种来源于植物的固体阴离子表面活性剂，并具有抗免疫抑制作用。

反应信息

• 作为产物：
  描述：

  十二烷醇 在 盐酸 、 sodium sulfite 作用下， 以 水 、 甲苯 为溶剂， 反应 5.0h， 生成 sodium new houttuyfonate
  参考文献：
  名称：

  Surface and thermodynamic properties of octyl, dodecyl, and cetyl sulfoacetates

  摘要：

  Three anionic surfactants (Na-octysulfoacetate (A(8)), Na-dodecylsulfoacetate (A(12)), and Na-cetylsulfoacetate (A(16)) were prepared from alkyl bromoacetate. Several studies were carried out with aqueous surfactant solutions including surface tension, and electrical conductivity measurements. Surface properties, in particular, critical micelle concentration (CMC), effectiveness (Pi(CMC)), efficiency (P-c20), maximum surface excess (Gamma(max)), and minimum surface area (A(min)) were investigated at different concentrations at 20, 35 and 50 degrees C, respectively. Free energies, enthalpies, entropies of micellization, and adsorption of the surfactants in the aqueous solution were studied.

  DOI：

  10.1007/bf00807558

文献信息

• [EN] HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS<br/>[FR] ÉTHERS ET THIOÉTHERS HÉMIAMINAUX DE COMPOSÉS CYCLIQUES N-ALCÉNYLIQUES
  申请人：ISP INVESTMENTS INC

  公开号：WO2014116560A1

  公开（公告）日：2014-07-31

  Described herein are hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds that may be produced through a reaction comprising: (A) at least one first reactant represented by a structure (I), wherein X is a functionalized or unfunctionalized C1-C5 alkylene group optionally having one or more heteroatoms, and each R1, R2, and R3 is independently selected from the group consisting of hydrogen and functionalized and unfunctionalized alkyl groups optionally having one or more heteroatoms, and (B) at least one second reactant having at least one hydroxyl moiety or thiol moiety. The hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds may comprise a polymerizable moiety, in which case they may be left as-is or used to create homopolymers or non-homopolymers, or they may not comprise a polymerizable moiety. A wide variety of formulations may be created using the hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds, including personal care, oilfield, and construction formulations.

  本文描述了可以通过反应制备的N-烯基环状化合物的半胺醚和硫醚，所述反应包括：（A）至少一个由结构（I）表示的第一反应物，其中X是一个官能化或非官能化的C1-C5烷基烯烃基团，可选地具有一个或多个杂原子，每个R1、R2和R3分别独立地选自氢和官能化和非官能化的烷基基团，可选地具有一个或多个杂原子；和（B）至少一个具有至少一个羟基基团或硫醇基团的第二反应物。N-烯基环状化合物的半胺醚和硫醚可能包括一个可聚合的基团，此时它们可以保持原样或用于制备同聚物或非同聚物，或者它们可能不包括可聚合的基团。可以使用N-烯基环状化合物的半胺醚和硫醚制备各种配方，包括个人护理、油田和建筑配方。
• AhR mediators
  申请人：Krutmann Jean

  公开号：US20090028804A1

  公开（公告）日：2009-01-29

  The invention relates to a method for finding and assessing agonists [and] antagonists of the aryl hydrocarbon receptor (Ah receptor; AhR), to the agonists and antagonists themselves and to uses thereof.

  这项发明涉及一种用于寻找和评估芳香族羟基化合物受体（Ah受体；AhR）的激动剂和拮抗剂的方法，以及这些激动剂和拮抗剂本身及其用途。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• The use of salts of undecylenoil glutamate and/or undecylenoil hydrolyzate of wheat and/or rice proteins in the formulation of detergent or cosmetic compositions, and compositions containing such salts
  申请人：ZSCHIMMER & SCHWARZ ITALIANA S.P.A.

  公开号：US20030100457A1

  公开（公告）日：2003-05-29

  The invention describes detergent or cosmetic compositions having hydrating and preservative properties and simultaneously anti-dandruff and/or anti-odor properties. These compositions comprise a salt of undecylenoil glutamate and/or undecylenoil hydrolyzate of wheat and/or rice proteins. Since such salts are able to perform also a preservative and hydrating effect the compositions of the invention do no need the addition of further preservative or hydrating agents or, at most, contain concentrations thereof which are not efficacious per se.

  这项发明描述了具有保湿和防腐特性以及同时具有抗头皮屑和/或抗臭特性的洗涤剂或化妆品组合物。这些组合物包括十一烯酰谷氨酸盐和/或小麦和/或大米蛋白水解物的十一烯酰盐。由于这些盐也能发挥防腐和保湿作用，该发明的组合物不需要额外添加防腐剂或保湿剂，或者最多只含有不能单独起作用的浓度。
• USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS
  申请人：Subkowski Thomas

  公开号：US20120263659A1

  公开（公告）日：2012-10-18

  The invention relates to a TRPM8 modulator for achieving a cooling effect on the skin or a mucous membrane.

  这项发明涉及一种TRPM8调节剂，用于在皮肤或粘膜上产生降温效果。