6521-30-8

• 常用中文名：4-羟基苯甲酸异戊酯
• 常用英文名：isopentyl 4-hydroxybenzoate
• CAS号：6521-30-8
• 分子式：C₁₂H₁₆O₃
• 分子量：208.25400
• 发布时间：2018-10-02 20:24:41
• 更新时间：2024-01-03 18:22:55

名称

• 中文名: 对羟基苯甲酸异戊酯
• 英文名: 4-hydroxybenzoic acid isoamyl ester
• 中文别名: 4-羟基苯甲酸异戊酯
• 英文别名: ISOAMYLPARABEN; 4-hydroxy-benzoic acid isopentyl ester; Hydroxybenzoicacidisoamylester; Isopentyl p-Hydroxyenzoate; p-Hydroxybenzoic acid isoamyl ester; ISOAMYL 4-HYDROXYBENZOATE; Isoamyl p-hydroxybenzoate; isopentyl 4-hydroxybenzoate; 4-Hydroxy-benzoesaeure-isopentylester; ISOPENTYL P-HYDROXYBENZOATE; Einecs 229-409-4

物化性质

• 密度: 1.083g/cm3
• 沸点: 242ºC
• 熔点: 62ºC
• 分子式: C₁₂H₁₆O₃
• 分子量: 208.25400
• 闪点: 130.3ºC
• 精确质量: 208.11000
• PSA: 46.53000
• LogP: 2.59510
• 外观性状: 白色-类白色晶体-粉末
• 折射率: 1.519
• 储存条件: 室温，干燥
• 稳定性:

  1. 存在于烟叶中。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:5

  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:15

  8.表面电荷:0

  9.复杂度:193

  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. 沸点（ºC）：242~243

  2. 熔点（ºC）：62

MSDS

Isoamyl 4-Hydroxybenzoate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Isoamyl 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:Isoamyl 4-Hydroxybenzoate Percent:>98.0%(GC)(T) 6521-30-8 CAS Number: Synonyms:4-Hydroxybenzoic Acid Isoamyl Ester , Isoamylparaben , Isopentyl 4- Hydroxybenzoate Chemical Formula:C12H16O3 Isoamyl 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: 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 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 Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. 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 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 Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder White - Almost white Colour: Isoamyl 4-Hydroxybenzoate Section9. PHYSICAL AND CHEMICAL PROPERTIES Odour:No data available pH: No data available Melting point/freezing point:62°C Boiling point/range:242°C Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]No data available [Other solvents] Soluble:Methanol Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: 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 NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: 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 No data available Henry's Law 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 UN-No:Not listed Isoamyl 4-Hydroxybenzoate 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

安全

• 危害码 (欧洲): Xi

合成路线

123-51-3 99-96-7 ~% 6521-30-8

文献：Archiv der Pharmazie (Weinheim, Germany), , vol. 272, p. 383,388

120-47-8 25016-92-6 ~% 6521-30-8

文献：Archiv der Pharmazie (Weinheim, Germany), , vol. 286, p. 324,327

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