甲酚曲唑三硅氧烷 | 155633-54-8

• 物质功能分类: 有机原料 - 有机硅化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 甲酚曲唑三硅氧烷
• 英文名称: drometrizole trisiloxane
• 英文别名: 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)-oxy]disiloxanyl]propyl]phenol；2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(2-methyl-3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propyl)phenol；2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl]phenol；silatrizole；2-(2H-benzotriazol-2-yl)-4-methyl-6-{2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxyl]-disiloxanyl]-propyl}-phenol；(2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl]-phenol)；2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
• CAS: 155633-54-8
• 化学式: C₂₄H₃₉N₃O₃Si₃
• 分子量: 501.848
• InChiKey: HUVYTMDMDZRHBN-UHFFFAOYSA-N

物化性质

• 熔点：
  46-48°C
• 沸点：
  530.6±60.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  6.39
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  5

ADMET

代谢

Drometrizole trisiloxane 报告称通过皮肤的吸收很少或没有。因此，预计该化合物的系统性存在将是最小的。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

来源:DrugBank

毒理性

• 蛋白质结合

Drometrizole trisiloxane 报告称通过皮肤的吸收很少或没有。因此，预计该化合物的系统性存在将是最小的。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

来源:DrugBank

吸收、分配和排泄

• 吸收

Drometrizole trisiloxane 报告显示它很少或没有通过皮肤的吸收。然而，目前的研究表明，最常用的防晒霜成分很可能会至少在一定程度上被皮肤吸收——尽管到达更深组织和皮肤血液循环的渗透仍然有限。尽管防晒产品在全球范围内广泛使用，但关于其使用的不良反应报告却很少。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. At this time, however, studies demonstrate that the components of most commonly used sunscreens are likely absorbed into the skin at least to some extent - although penetration to deeper tissues and the cutaneous circulation remains limited. Despite the extensive use of sunscreen products around the world, there have been few reports of adverse effects related to their use.

来源:DrugBank

吸收、分配和排泄

• 消除途径

Drometrizole trisiloxane 报告称通过皮肤的吸收很少或没有。因此，该化合物的系统性存在预计是最小的。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

来源:DrugBank

吸收、分配和排泄

• 分布容积

Drometrizole trisiloxane 报告显示它很少或没有通过皮肤的吸收。因此，该化合物的系统性存在预计会很小。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

来源:DrugBank

吸收、分配和排泄

• 清除

Drometrizole trisiloxane 报告显示它很少或没有通过皮肤的吸收。因此，该化合物的系统性存在预计会很小。

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

来源:DrugBank

安全信息

• WGK Germany：
  1
• 海关编码：
  2933997500
• 储存条件：
  室温

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Drometrizole trisiloxane
: Fluka
CAS-No. : 155633-54-8

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 2-(2-H-Benzotriazole-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-
[(trimethylsilyl)oxy]disiloxanyl]propyl]phenol
Formula : C24H39N3O3Si3
Molecular Weight : 501,84 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), silicon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
no data available
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Light sensitive. Store in the dark.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: flakes
Colour: white, off-white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility practically insoluble
o) Partition coefficient: n- log Pow: 8,34 at 25 °C
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

屈美他唑三硅氧烷（DRT）是一种亲脂性苯并三唑衍生物，常用于防晒化妆品中。它可以用作参考标准品，并可通过反相超高效液相色谱（RP-UPLC）联合电喷雾电离-四极杆飞行时间串联质谱法（ESI-QTOF-MS/MS）进行测定。

反应信息

• 作为反应物：
  描述：

  甲酚曲唑三硅氧烷 、 紫外线吸收剂 UV-326 生成 T406石油添加剂
  参考文献：
  名称：

  ANHYDROUS FLUID FILTERING COMPOSITION COMPRISING AN OILY PHASE, A PARTICULAR TRIAZINE FILTER AND AN OIL THICKENING OR GELLING RHEOLOGICAL AGENT

  摘要：

  本发明涉及一种无水流体组合物，该组合物包括以下成分：a) 至少一种油性相和b) 至少一种特定的三嗪类紫外线过滤剂（I式）和c) 至少一种流变剂，用于增稠或凝胶化油性相。本发明还涉及使用该组合物制造用于化妆品处理皮肤、指甲、头发、睫毛、眉毛和/或头皮的产品，特别是护肤产品、防晒产品、化妆品。

  公开号：

  US20110200543A1
• 作为产物：
  描述：

  在 水 、 sodium hydroxide 、 5%-palladium/activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以93.2%的产率得到甲酚曲唑三硅氧烷
  参考文献：
  名称：

  CN114539306

  摘要：

  公开号：

文献信息

• [EN] PROCESS FOR PURIFYING OR DRYING COMPOUNDS COMPRISING 2-HYDROXYPHENYL BENZOTRIAZOLE FUNCTIONS AND SILOXANE FUNCTIONS<br/>[FR] PROCÉDÉ DE PURIFICATION OU DE SÉCHAGE DE COMPOSÉS COMPRENANT DES FONCTIONS 2-HYDROXYPHÉNYL BENZOTRIAZOLE ET DES FONCTIONS SILOXANE
  申请人：RHODIA OPERATIONS

  公开号：WO2018104249A1

  公开（公告）日：2018-06-14

  The present invention is directed to a process for purifying or drying a material comprising at least one compound containing at least one 2-hydroxyphenyl benzotriazole function and at least one siloxane function, said process comprising a step wherein the material is submitted to microwave irradiations.

  本发明涉及一种用于纯化或干燥至少包含至少一种2-羟基苯基苯并三唑基团和至少一种硅氧烷功能的化合物的材料的过程，该过程包括将材料暴露于微波辐射下的步骤。
• PROCESS FOR PREPARING 2-HYDROXYPHENYL BENZOTRIAZOLE SILOXANE COMPOUNDS
  申请人：Richard Herve

  公开号：US20130204006A1

  公开（公告）日：2013-08-08

  A process for preparing a siloxane compound comprising a 2-hydroxyphenyl benzotriazole function which comprises at least one step in which a reaction for hydrosilylation of a compound 2-hydroxyphenyl benzotriazole comprising a substituent having a terminal double bond with a siloxane compound comprising an SiH function is carried out in the presence of a catalyst and of at least one volatile organic solvent corresponding to one of formula (VII) or (VIII). in which R 4 and R 5 , which may be identical or different, represent a linear or branched C 1 -C 4 alkyl radical, with the proviso that the sum of the carbons of R 4 and R 5 is less than or equal to 6; y is and integer between 1 and 3; R 6 which may be identical or different, are linear or branched C 1 -C 3 alkyl radicals, with the proviso that the sum of the carbons of R 6 is less than or equal to 6 is disclosed.

  一种制备含有2-羟基苯基苯并三唑基功能的硅氧烷化合物的方法，其中至少包括一步，在催化剂和至少一个对应于式（VII）或（VIII）的挥发性有机溶剂的存在下，将具有末端双键取代基的2-羟基苯基苯并三唑化合物与具有SiH功能的硅氧烷化合物进行氢硅化反应的步骤。在式中，R4和R5（可以相同也可以不同）代表线性或支链状的C1-C4烷基基团，但R4和R5的碳数之和小于或等于6；y是1到3之间的整数；R6（可以相同也可以不同）是线性或支链状的C1-C3烷基基团，但R6的碳数之和小于或等于6。
• Use of Benzodiazepine Receptor Ligands For Combating Signs of Ageing
  申请人：Besne Isabelle

  公开号：US20080194620A1

  公开（公告）日：2008-08-14

  The invention relates to the cosmetic use of at least one benzodiazepine peripheral receptor antagonist in a composition containing a physiologically acceptable medium, as an agent for reducing or preventing cutaneous signs of ageing.

  本发明涉及使用至少一种苯二氮平周围受体拮抗剂作为化妆品成分，含有生理上可接受的介质，用作减少或预防皮肤老化迹象的药剂。
• PHOTOPROTECTIVE COMPOSITION CONTAINING AN UNMODIFIED GELLING STARCH AND POLYAMIDE PARTICLES
  申请人：Chevalier Cyril

  公开号：US20110256192A1

  公开（公告）日：2011-10-20

  The present invention relates to a composition intended for protecting the skin and/or hair against ultraviolet radiation, characterized by the fact that it comprises, in a cosmetically acceptable support containing at least one aqueous phase, at least: (a) a photoprotective system capable of screening out UV radiation; (b) at least one gelling starch that is not modified by a chemical or physical process; and (c) polyamide particles, in particular polyamide PA-12 or polyamide PA-6 particles. The present invention also relates to the use of the combination of at least one gelling starch that is not modified by a chemical or physical process and polyamide particles in a composition comprising, in a cosmetically acceptable support comprising at least one aqueous phase, at least one photoprotective system capable of screening out UV radiation, for the purpose of improving the cosmetic properties after application, especially the non-tacky effect, non-greasy effect, non-shiny effect and/or the absence of residual film.

  本发明涉及一种用于保护皮肤和/或头发免受紫外线辐射的组合物，其特征在于它包含以下成分，至少在一个含有至少一个水相的化妆品可接受载体中：（a）一种光保护系统，能够筛选出紫外线辐射；（b）至少一种未经化学或物理处理的胶化淀粉；和（c）聚酰胺颗粒，特别是聚酰胺PA-12或聚酰胺PA-6颗粒。本发明还涉及至少一种未经化学或物理处理的胶化淀粉和聚酰胺颗粒的组合物在一种化妆品可接受载体中的应用，所述载体中包含至少一个水相，其中还包括至少一种能够筛选出紫外线辐射的光保护系统，旨在改善应用后的化妆品性质，特别是无粘性、不油腻、不闪光和/或无残留膜的效果。
• COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU
  申请人：Cassin Guillaume

  公开号：US20130034509A1

  公开（公告）日：2013-02-07

  The present invention relates to a method for the cosmetic treatment of the skin involving a compound, or set of compounds, capable of condensing in situ.

  本发明涉及一种用于美容皮肤的方法，涉及一种或多种能够原地凝聚的化合物。