Mexoryl | 92761-26-7

• 物质功能分类: 分析化学 - 标准品 - 挥发性有机化合物(VOCs)
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Mexoryl
• 英文别名: [(3E)-3-[[4-[(E)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
• CAS: 92761-26-7
• 化学式: C₂₈H₃₄O₈S₂
• 分子量: 562.7
• InChiKey: HEAHZSUCFKFERC-IWGRKNQJSA-N

物化性质

• 熔点：
  255° (dec)
• 密度：
  1.424±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 颜色/状态：
  Solid
• 蒸汽压力：
  6.28X10-23 mm Hg at 25 °C (est)
• 稳定性/保质期：

  Stable under recommended storage conditions.

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  8

ADMET

代谢

Ecamsule不被吸收或代谢。

Ecamsule is not absorbed or metabolized.

来源:DrugBank

毒理性

• 毒性总结

识别和使用：对苯二甲酰亚胺二樟脑磺酸是一种固体。它被用作广谱UVA吸收剂，并具有一定的UVB吸收能力。它已经在动物中作为紫外线屏障进行了测试。人体研究：无数据可用。动物研究：在大鼠中进行的90天口服重复剂量研究中，在300 mg/kg/天的剂量下未发现与剂量相关的效果。在1,000 mg/kg/天的剂量下，雄性在第四周出现了磷质血症，雌性在第13周出现了蛋白质、白蛋白和球蛋白水平的降低。有证据表明，喂食对苯二甲酰亚胺二樟脑磺酸的雄性动物甲状腺重量有所变化，然而，由于对照组动物被发现甲状腺重量异常低，这一观察结果的有效性存在疑问。随后的21天研究使用三乙酰胺和钠盐对甲状腺代谢进行研究，在305 mg/kg和444 mg/kg的剂量下未发现与治疗相关的变化。

IDENTIFICATION AND USE: Terephthalylidene dicamphor sulfonic acid is a solid. It is used as broad spectrum UVA absorber with some UVB absorption. It has been tested as an ultraviolet screen in animals. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: In a 90-day oral repeat dose study in rats, no dose related effects were found at 300 mg/kg/day. At 1,000 mg/kg/day there was phosphoremia in males at week 4 and decreased protein, albumin and globulin levels in females at week 13. There was some evidence of variation in thyroid weight in the male animals fed terephthalylidene dicamphor sulfonic acid, however, there was some doubt as to validity of this observation as the control animals were found to have unusually low thyroid weights. Follow up 21-day studies using the triethalanoamine and sodium salts on thyroid metabolism found no treatment related changes at dose rates of 305 mg/kg and 444 mg/kg respectively.

来源:Hazardous Substances Data Bank (HSDB)

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卧位（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入性肺炎。保持患者安静，维持正常体温。寻求医疗救助。 /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：对于失去意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽插管以控制气道。使用带气囊的面罩进行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5%葡萄糖水（D5W），保持通路开放，最低流量/ SRP: "To keep open", minimal flow rate /。如果出现低血容量的迹象，使用0.9%盐水（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（阿替平）治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/毒素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 /SRP: "To keep open", minimal flow rate/. 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)

毒理性

• 非人类毒性摘录

实验室动物：亚慢性或前慢性暴露/ 在一项大鼠90天口服重复剂量研究中，在300 mg/kg/天的剂量下未发现与剂量相关的效应。在1,000 mg/kg/天的剂量下，雄性在第四周出现磷血症状，雌性在第13周出现蛋白质、白蛋白和球蛋白水平降低。有一些证据表明，喂食对苯二甲酰亚胺二樟脑磺酸的大鼠甲状腺重量有所变化，然而，由于对照组动物被发现甲状腺重量异常低，这一观察结果的有效性存在一些疑问。随后的21天研究使用三乙基醇胺和钠盐（未经审核）对甲状腺代谢进行研究，在305 mg/kg和444 mg/kg的剂量下未发现与治疗相关的变化。

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In a 90-day oral repeat dose study in rats, no dose related effects were found at 300 mg/kg/day. At 1,000 mg/kg/day there was phosphoremia in males at week 4 and decreased protein, albumin and globulin levels in females at week 13. There was some evidence of variation in thyroid weight in the male animals fed terephthalylidene dicamphor sulfonic acid, however, there was some doubt as to validity of this observation as the control animals were found to have unusually low thyroid weights. Follow up 21-day studies using the triethalanoamine and sodium salts (not audited) on thyroid metabolism found no treatment related changes at dose rates of 305 mg/kg and 444 mg/kg respectively.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

• 吸收

Ecamsule是一种外用制剂，不应被吸收。由欧莱雅在人体受试者上进行的研究发现，系统吸收的[(14)C]-Ecamsule剂量小于0.1%，在现实暴露条件下，人类对这种UVA过滤剂的系统暴露微不足道，对人类健康没有风险。

Ecamsule is a topical preparation, it should not be absorbed. Research done by L'Oreal on human subjects revealed that the systemically absorbed dose of [(14)C]-Ecamsule is less than 0.1% and under realistic exposure conditions, the human systemic exposure to this UVA filter is negligible and poses no risk to human health.

来源:DrugBank

吸收、分配和排泄

• 消除途径

Ecamsule仅供外用。

Ecamsule is intended for topical application only.

来源:DrugBank

吸收、分配和排泄

• 分布容积

Ecamsule是用于局部应用的，并且没有分布容积。

Ecamsule is intended for topical application and has no volume of distribution.

来源:DrugBank

吸收、分配和排泄

• 清除

Ecamsule是一种外用药物，不会被吸收或代谢。

Ecamsule is used topically, it not absorbed or metabolized.

来源:DrugBank

吸收、分配和排泄

紫外线过滤剂的潜在人体健康风险取决于它们的毒性和人体系统暴露量，后者是局部应用物质透过皮肤吸收到人体内的程度的功能。采用“质量平衡”方法，设计了一项研究，以调查在涂抹典型防晒乳液后，[(14)C]-Mexoryl SX((R)) 在人体内的系统吸收剂量。此外，为了评估与体外实验的相关性，在相同的暴露条件下测量了这种UVA过滤剂通过孤立的人体皮肤的经皮吸收。当在活体内应用4小时时，从清洗样品中回收了89-94%的应用放射性。在尿液样本中，放射性略微超过了背景水平，最大相当于局部应用剂量的0.014%。在应用后长达120小时内的血液或粪便样本中未测量到放射性。在体外，应用4小时后24小时，[(14)C]-Mexoryl SX主要留在皮肤表面。24小时内的平均体外吸收量，加上在真皮和受体液体中发现的量，为应用剂量的0.16%。根据活体药代动力学结果，得出结论，[(14)C]-Mexoryl SX的系统吸收剂量小于0.1%。这个值的数量级与相应的体外数据很好地相关，后者高估了活体结果，正如以前观察到的其他亲水性化合物一样。这项研究表明，在现实的暴露条件下，人体对这种UVA过滤剂的系统暴露是可以忽略的，对人类健康没有风险。

The potential human health risk of UV filters depends on their toxicity and the human systemic exposure which is a function of the extent of percutaneous absorption of the topically applied substance into the human organism. Using a 'mass balance' approach, a study was designed to investigate the systemically absorbed dose of [(14)C]-Mexoryl SX((R)) in humans after topical application of a typical sunscreen emulsion. In addition, to assess the correlation with in vitro experiments, the percutaneous absorption of this UVA filter through isolated human skin was measured under identical exposure conditions. When applied in vivo for a period of 4 hr, 89-94% of the applied radioactivity was recovered from the wash-off samples. In urine samples, the radioactivity slightly exceeded background levels and corresponded maximally to 0.014% of the topically applied dose. No radioactivity was measured in blood or feces sampled up to 120 hr after application. In vitro, 24 hr after a 4-hour application, [(14)C]-Mexoryl SX remained primarily on the skin surface. The mean in vitro absorption over 24 hr, adding up the amounts found in the dermis and receptor fluid, was 0.16% of the applied dose. It is concluded from the in vivo pharmacokinetic results that the systemically absorbed dose of [(14)C]-Mexoryl SX is less than 0.1%. The order of magnitude of this value correlates well with the corresponding in vitro data which overestimate the in vivo results as previously observed with other hydrophilic compounds. This study demonstrates that, under realistic exposure conditions, the human systemic exposure to this UVA filter is negligible and poses no risk to human health.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R41
• WGK Germany：
  1
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338+P310
• 危险品运输编号：
  3261
• 危险性描述：
  H318

制备方法与用途

化学性质

依莰舒为白色或略带淡黄色粉末，易溶于水。其吸收光谱范围在290-390nm之间，在345nm时达到峰值吸收。

用途

依莰舒是一种水溶性化学防晒剂，能提供更佳的肤感体验，并且是目前过滤UVA最有效的成分之一，还能吸收部分UVB紫外线。

反应信息

• 作为产物：
  描述：

  、 1,7,7-三甲基-3-(苯亚甲基)双环[2,2,1]庚-2-酮 、 二苯甲酮 、 2-苯基苯并咪唑 、 依莰舒 以 苯 为溶剂， 以produced under the trade name “MEXORYL SX” by CHIMEX, 4,′-sulpho-3-benzylidenecamphoric acid (INCI name: Benzylidene Camphor Sulfonic Acid)的产率得到Mexoryl
  参考文献：
  名称：

  Transparent biphase composition for topical application

  摘要：

  本发明涉及一种组合物，可用于化妆品用途，如头发和皮肤护理，该组合物具有明显的水相和明显的油相，水相包含至少40%的聚醇，相对于水相的总重量，油相包含至少5%的硅油，相对于油相的总重量，聚醇和硅油的数量使得两相的折射率几乎相同。

  公开号：

  US20040192832A1

文献信息

• cosmetic compositions containing hydroquinone and various sunscreen agents
  申请人：Fares Hani

  公开号：US20070025939A1

  公开（公告）日：2007-02-01

  Disclosed are compositions for application to skin, comprising hydroquinone or a derivative thereof, a stabilizer selected from the group consisting of tetraphthalylidene dicamphor sulfonic acid (Mexoryl SX) and benzophenone-4, and a cosmetically acceptable vehicle. Also disclosed are methods of whitening skin, and methods of reducing discoloration of compositions containing hydroquinone.
• METHOD FOR PERMANENTLY RESHAPING KERATIN FIBERS WITH AN ACID PRE-TREATING COMPOSITION
  申请人：BARBARAT Philippe

  公开号：US20090252697A1

  公开（公告）日：2009-10-08

  A method for permanently reshaping keratin fibers, such as hair, comprising applying onto the keratin fibers a pre-treating composition comprising, in a cosmetically acceptable medium, at least one entity chosen from non reducing inorganic acids, non reducing organic acids, and salts thereof, wherein the pH value of said pre-treating composition ranges from 2 to 5; rinsing the keratin fibers; applying onto the keratin fibers a treating composition comprising, in a cosmetically acceptable medium, at least one hydroxide compound; and reshaping the keratin fibers, wherein the reshaping occurs after applying the pre-treating composition and at any time before, during, or after applying the treating composition.
• Coloured fragrancing composition with no alkyl diphenylacrylate that contains a derivative of benzylidene camphor containing a sulphonic function or a benzotriazole silicone
  申请人：Thfoin Willy

  公开号：US20120148508A1

  公开（公告）日：2012-06-14

  The invention relates to a coloured fragrancing composition comprising, in a cosmetically acceptable medium: a) at least 2% by weight of a fragrancing substance relative to the total weight of the composition; b) at least one derivative of: benzylidene camphor containing a sulphonic function or a benzotriazole silicone of particular formula (1) that will be defined below in detail; c) at least one dye that is soluble in said medium; said composition not containing an alkyl β,β′-diphenylacrylate compound or an alkyl α-cyano-β,β′-diphenylacrylate compound. The invention also relates to a cosmetic method for fragrancing human keratin substances and in particular the skin, lips and integuments, comprising the application to the keratin substances of the composition defined previously.
• GEL/GEL COMPOSITION COMPRISING A UV-SCREENING AGENT
  申请人：L'OREAL

  公开号：US20170304658A1

  公开（公告）日：2017-10-26

  A composition, in particular a cosmetic composition, for making up and/or caring for keratin materials, including at least one aqueous phase gelled with at least one non-starchy hydrophilic gelling agent; at least one oily phase gelled with at least one non-cellulose-based lipophilic gelling agent other than apolar hydrocarbon-based waxes with a melting point of greater than 75.0° C. and silicone polyamides; the phases forming therein a macroscopically homogeneous mixture; the composition also including at least one UV-screening agent.
• COSMETIC COMPOSITION COMPRISING A SYNTHETIC PHYLLOSILICATE AND A POLYOL AND/OR A UV FILTER
  申请人：L'OREAL

  公开号：US20170326045A1

  公开（公告）日：2017-11-16

  The present invention relates to a composition, in particular cosmetic composition, comprising: (a) at least one synthetic phyllosilicate having the molecular formula Mg 3 Si 4 O 10 (OH) 2 ; and (b) at least one polyol and/or polyol derivative, and/or at least one UV filter. The present invention further relates to the use of a synthetic phyllosilicate having the molecular formula Mg 3 Si 4 O 10 (OH) 2 for reducing the tackiness and/or for increasing the hydrating effect of said composition, the cosmetic use of said composition for topical skin and/or nail care, a cosmetic treatment method comprising topical application of said composition to the skin and/or the nails, a cosmetic method for limiting the darkening of the skin and/or the nails and/or for improving the colour and/or the homogeneity of the complexion, and a cosmetic method for preventing and/or treating signs of ageing of the skin and/or the nails comprising applying said composition to the surface of the skin and/or the nails.