17696-61-6

• 常用中文名：4-羟基苯甲酸仲丁酯
• 常用英文名：sec-Butyl 4-Hydroxybenzoate
• CAS号：17696-61-6
• 分子式：C₁₁H₁₄O₃
• 分子量：194.22700
• 发布时间：2018-03-19 08:00:00
• 更新时间：2024-01-10 10:54:56

名称

• 中文名: 仲丁基 4-羟基苯甲酸
• 英文名: butan-2-yl 4-hydroxybenzoate
• 中文别名: 4-羟基苯甲酸 1-甲基丙酯; 4-羟基苯甲酸仲丁酯
• 英文别名: 4-Hydroxybenzoic Acid sec-Butyl Ester; sec-Butyl 4-Hydroxybenzoate; p-Hydroxybenzoesaeure-2-butylester; 4-Hydroxybenzoic acid 1-methylpropyl ester; 4-Hydroxy-benzoesaeure-sek.-butylester; methylpropyl paraben; EINECS 241-697-3; sec-Butylparaben; 4-hydroxy-benzoic acid sec-butyl ester; 4-Hydroxy-benzoesaeure-sec-butylester

物化性质

• 密度: 1.105g/cm3
• 沸点: 210ºC / 25mmHg
• 熔点: 60ºC
• 分子式: C₁₁H₁₄O₃
• 分子量: 194.22700
• 闪点: 125.4ºC
• 精确质量: 194.09400
• PSA: 46.53000
• LogP: 2.34750
• 外观性状: 白色-类白色晶体-粉末
• 蒸汽压: 0.000556mmHg at 25°C
• 折射率: 1.524
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：53.76

  2、 摩尔体积（m³/mol）：175.6

  3、 等张比容（90.2K）：443.8

  4、 表面张力（dyne/cm）：40.7

  5、 极化率（10^-24cm³）：21.31

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.8

  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：4

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：46.5

  7、 重原子数量：14

  8、 表面电荷：0

  9、 复杂度：183

  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（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：60

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 25mmHg）：210

  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

Section I.Chemical Product and Company Identification Chemical Name 4-Hydroxybenzoic Acid sec-Butyl Ester Portland OR Synonymsec-Butyl 4-hydroxybenzoate Chemical FormulaHOC6H4COOCH(CH3)CH2CH3 CAS Number17696-61-6 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data 4-Hydroxybenzoic Acid sec-Butyl Ester17696-61-6 Min. 98.0 (T) Not available.Not available. Section III. Hazards Identification Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of 15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively. Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing. InhalationIf the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible, show the chemical label. Treat symptomatically and supportively. Section V.Fire and Explosion Data Auto-IgnitionNot available. FlammabilityMay be combustible at high temperature. Flash PointsFlammable LimitsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO 2). Fire Hazards No specific information is available regarding the flammability of this compound in the presence of various materials. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. No additional information is available regarding the risks of explosion. Fire Fighting Media SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Continued on Next Page H04e namet)ams (Europe)mpany Identifi Section VI.Accidental Release Measures Spill CleanupIrritating material. InstructionsIn case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the Handling and Storage container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Solubility Physical state @ 20°CCrystalline powder.Not available. Not available. Specific Gravity Molecular Weight194.23Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot available. Melting Point60°C (140°F)Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Eye contact. Ingestion. Inhalation. Routes of Exposure Toxicity DataNot available. Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page 4-Hydroxybenzoic Acid sec-Butyl Ester Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with Waste Disposal 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. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn
• 安全声明 (欧洲): S24/25
• 海关编码: 2918290000

合成路线

78-92-2 99-96-7 ~% 17696-61-6

文献：Journal of the Society of Chemical Industry, London, , vol. 66, p. 175

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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%