27019-47-2

• 常用中文名：beta-丙氨酸苄酯对甲苯磺酸盐
• 常用英文名：beta-Alanine benzyl ester p-toluenesulfonate salt
• CAS号：27019-47-2
• 分子式：C₁₇H₂₁NO₅S
• 分子量：351.417
• 相关类别： 生物化工 氨基酸及其衍生物 丙氨酸类衍生物
• 发布时间：2018-03-23 08:00:00
• 更新时间：2024-01-12 09:00:26
• 下载msds

名称

• 中文名: β-丙氨酸苄酯对甲苯磺酸盐
• 英文名: benzyl 3-aminopropanoate,4-methylbenzenesulfonic acid
• 中文别名: Beta-丙氨酸苄酯对甲苯磺酸盐; 对甲苯磺酸beta-丙氨酸苄酯; β-氨基丙酸苄酯对甲苯磺酸盐; Β-氨基丙酸苄酯对甲苯磺酸盐; 3-氨基丙酸苄酯对甲苯磺酸盐; 对甲苯磺酸BETA-丙氨酸苄酯; b-氨基丙酸苄酯对甲苯磺酸盐
• 英文别名: p-toluenesulphonic acid salt; β-Alanine Benzyl Ester p-Toluenesulfonate; Benzyl β-alaninate 4-methylbenzenesulfonate (1:1); β-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1); benzyl 3-aminopropanoate tosylate; Benzyl 3-aminopropanoate 4-methylbenzenesulfonate; Beta-Alanine Benzyl Ester p-Toluenesulfonate Salt; MFCD00039061; H-beta-Ala-Obzl Tos; Beta-Alanine Benzyl Ester p-Toluenesulfonate

物化性质

• 沸点: 547.2ºC at 760 mmHg
• 熔点: 138-139°C
• 分子式: C₁₇H₂₁NO₅S
• 分子量: 351.417
• 闪点: 284.7ºC
• 精确质量: 351.114044
• PSA: 115.07000
• LogP: 4.10140
• 外观性状: 白色至灰白色粉末
• 蒸汽压: 0.00236mmHg at 25°C
• 储存条件:

  -20℃

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积115

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:359

  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:2

• 更多:

  1. 性状： 未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：138-139

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

β-Alanine Benzyl Ester p-Toluenesulfonate Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:β-Alanine Benzyl Ester p-Toluenesulfonate 1 Revision number: Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbolsNone Signal wordNo signal word Hazard statementNone Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance β-Alanine Benzyl Ester p-Toluenesulfonate Component(s): Percent:>98.0%(T) CAS Number:27019-47-2 Chemical Formula:C10H13NO2·C7H8O3S 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 Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods: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. β-Alanine Benzyl Ester p-Toluenesulfonate Section5. FIRE-FIGHTING MEASURES When extinguishing fire, be sure to wear personal protective equipment. Special protective 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 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. Avoid contact with skin, eyes and clothing. Advice on safe handling: Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. 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. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid crystal - powder Form: Color:Very pale yellow - Pale yellow No data available Odor: pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available No data available Flash Point: Explosive limits No data available Lower: Upper:No data available No data available Density: Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulphur oxides Products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: β-Alanine Benzyl Ester p-Toluenesulfonate Section11. TOXICOLOGICAL INFORMATION No data available Skin corrosion/irritation: 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): Mobillity in soil No data available log Pow: 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 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 Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): 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: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2922499990

合成路线

104-15-4 100-51-6 107-95-9 ~97% 27019-47-2

文献：Hachisako, Hiroshi; Murata, Yutaka; Ihara, Hirotaka Journal of the Chemical Society. Perkin Transactions 2, 1999 , # 11 p. 2569 - 2577

上下游产品

上游产品  3
104-15-4 100-51-6 107-95-9
下游产品  1
5910-56-5

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%