10361-12-3

• 常用中文名：没食子酸十八酯
• 常用英文名：Octadecyl 3,4,5-trihydroxybenzoate
• CAS号：10361-12-3
• 分子式：C₂₅H₄₂O₅
• 分子量：422.598
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸酯及其衍生物
• 发布时间：2018-08-25 14:54:21
• 更新时间：2024-01-02 10:06:53
• Stearyl gallate 是一种具有长烷基链 (碳原子数为 18) 的没食子酸烷基酯。Stearyl gallate 具有抗氧化活性,并具有较弱的抗 HSV-1 病毒的活性。

名称

• 中文名: 没食子酸十八酯
• 英文名: Stearyl Gallate
• 中文别名: 没食子酸十八烷基酯; 3,4,5-三羟基苯甲酸十八酯
• 英文别名: Benzoic acid, 3,4,5-trihydroxy-, octadecyl ester; Octadecyl 3,4,5-trihydroxybenzoate; MFCD00016429; 3,4,5-trihydroxy benzoic acid stearyl ester; Octadecyl gallate; Gallic Acid Stearyl Ester

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 583.0±45.0 °C at 760 mmHg
• 熔点: 95°C
• 分子式: C₂₅H₄₂O₅
• 分子量: 422.598
• 闪点: 187.8±22.2 °C
• 精确质量: 422.303223
• PSA: 86.99000
• LogP: 10.57
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.519
• 储存条件:

  密封于阴凉干燥处。

• 稳定性:

  遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：122.42

  2、 摩尔体积（cm³/mol）：403.2

  3、 等张比容（90.2K）：1033.4

  4、 表面张力（dyne/cm）：43.1

  5、 极化率（10^-24cm³）：48.53

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:5

  4.可旋转化学键数量:19

  5.互变异构体数量:14

  6.拓扑分子极性表面积87

  7.重原子数量:30

  8.表面电荷:0

  9.复杂度:402

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）： 无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：95

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）： 无可用

  7. 折射率： 无可用

  8. 闪点（ºC）： 无可用

  9. 比旋光度（º）： 无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

生物活性

• 描述: Stearyl gallate 是一种具有长烷基链 (碳原子数为 18) 的没食子酸烷基酯。Stearyl gallate 具有抗氧化活性,并具有较弱的抗 HSV-1 病毒的活性。
• 相关类别:
  信号通路 >> 抗感染 >> HSV
  研究领域 >> 感染
• 靶点:

  HSV-1

• 参考文献:

  [1]. Misao Uozaki, et al. Antiviral effect of octyl gallate against DNA and RNA viruses. Antiviral Res. 2007 Feb;73(2):85-91.

  [2]. Eisuke Takai, et al. Effects of alkyl chain length of gallate on self-association and membrane binding. J Biochem. 2011 Aug;150(2):165-71.

MSDS

Stearyl Gallate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Stearyl Gallate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Stearyl Gallate Percent:>97.0%(GC)(T) CAS Number:10361-12-3 Synonyms:Gallic Acid Stearyl Ester Chemical Formula:C25H42O5 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Stearyl Gallate Section5. FIRE-FIGHTING MEASURES Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder Colour:White - Very pale yellow Odour:No data available pH: No data available Melting point/freezing point:104°C Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): [Water]Insoluble [Other solvents]No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents, Bases Stearyl Gallate Section10. STABILITY AND REACTIVITY Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Stearyl Gallate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 2918290000

合成路线

1063201-10-4 ~97% 10361-12-3

文献：Dodo, Kosuke; Minato, Taro; Noguchi-Yachide, Tomomi; Suganuma, Masami; Hashimoto, Yuichi Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 17 p. 7975 - 7982

112-92-5 149-91-7 ~71% 10361-12-3

文献：Savi, Luciane A.; Leal, Paulo C.; Vieira, Tiago O.; Rosso, Rober; Nunes, Ricardo J.; Yunes, Rosendo A.; Creczynski-Pasa, Tania B.; Barardi, Celia R. M.; Simoes, Claudia Maria Oliveira Arzneimittel-Forschung/Drug Research, 2005 , vol. 55, # 1 p. 66 - 75

上下游产品

上游产品  3
1063201-10-4 112-92-5 149-91-7
下游产品  0

海关

海关编码	2918290000
中文概述	2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%