5153-25-3

• 常用中文名：4-羟基苯甲酸2-乙基己酯
• 常用英文名：2-Ethylhexyl 4-hydroxybenzoate
• CAS号：5153-25-3
• 分子式：C₁₅H₂₂O₃
• 分子量：250.33300
• 相关类别： 食品添加剂 防腐剂
• 发布时间：2018-04-28 08:00:00
• 更新时间：2024-01-02 14:45:33
• 下载msds

名称

• 中文名: 尼泊金辛酯
• 英文名: 2-Ethylhexyl 4-Hydroxybenzoate
• 中文别名: 4-羟基苯甲酸2-乙基己酯; 4-羟基苯甲酸-2-乙基己酯; 2-乙己基-4-羟基苯甲酸酯; 4-羟基苯甲酸-2-乙基己基酯; 对羟基苯甲酸-2-乙基己酯
• 英文别名: 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester; MFCD00016472; 2-Ethylhexyl 4-hydroxybenzoate; 4-Hydroxybenzoic Acid Octyl Ester; 2-Ethylhexylparaben; EINECS 225-925-9; Octyl 4-Hydroxybenzoate; Octylparaben

物化性质

• 密度: 1.035g/cm3
• 沸点: 362.6ºC at 760mmHg
• 熔点: 118-120 °C
• 分子式: C₁₅H₂₂O₃
• 分子量: 250.33300
• 闪点: 144.6ºC
• 精确质量: 250.15700
• PSA: 46.53000
• LogP: 3.76540
• 外观性状: 无色-浅黄色透明液体
• 折射率: 1.51
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：72.29

  2、 摩尔体积（m³/mol）：241.6

  3、 等张比容（90.2K）：603.0

  4、 表面张力（dyne/cm）：38.7

  5、 极化率（10 ^-24cm ³）：28.66

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.5

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:8

  5.互变异构体数量:4

  6.拓扑分子极性表面积46.5

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:232

  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:1

  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：不确定

  2. 密度：1.04

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,50mmHg）：270

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

2-Ethylhexyl 4-Hydroxybenzoate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2-Ethylhexyl 4-Hydroxybenzoate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation Skin sensitizationCategory 1 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCauses skin irritation Causes serious eye irritation May cause an allergic skin reaction Precautionary statements: Avoid breathing dust/fume/gas/mist/vapours/spray. [Prevention] Contaminated work clothing should not be allowed out of the workplace. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Wash contaminated clothing before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2-Ethylhexyl 4-Hydroxybenzoate Percent:>98.0%(LC)(T) 5153-25-3 CAS Number: Synonyms:2-Ethylhexylparaben , 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester , 4-Hydroxybenzoic Acid Octyl Ester , Octyl 4-Hydroxybenzoate , Octylparaben Chemical Formula:C15H22O3 2-Ethylhexyl 4-Hydroxybenzoate 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. Gently wash with plenty of soap and water. 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: Unsuitable extinguishing Solid streams of water 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. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. 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: Vapor respirator. Follow local and national regulations. Protective gloves. Hand protection: Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. 2-Ethylhexyl 4-Hydroxybenzoate Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Colorless - Pale yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available 270°C/6.7kPa Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available 1.04 Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents 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 No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available 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 burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. 2-Ethylhexyl 4-Hydroxybenzoate Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed 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. 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): Xn
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2918290000

合成路线

106-41-2 104-76-7 ~% 5153-25-3

文献：Bromine Compounds Ltd. Patent: EP461322 A1, 1991 ;

104-76-7 99-96-7 ~% 5153-25-3

文献：Cavill; Vincent Journal of the Society of Chemical Industry, London, 1947 , vol. 66, p. 175

上下游产品

上游产品  3
106-41-2 104-76-7 99-96-7
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%