37526-88-8

• 常用中文名：惕各酸苄酯
• 常用英文名：benzyl tiglate
• CAS号：37526-88-8
• 分子式：C₁₂H₁₄O₂
• 分子量：190.23800
• 相关类别： 香精与香料 合成香料 羧酸及酯类香料 芳香族羧酸酯
• 发布时间：2018-12-02 18:05:55
• 更新时间：2025-08-25 17:33:57
• 【用途一】
  GB 2760--1996规定为暂时允许使用的食品用香料。

名称

• 中文名: (E)-2-甲基-2-丁烯酸苯甲酯
• 英文名: benzyl tiglate
• 中文别名: 惕各酸苄酯; 反-2-甲基-2-丁烯酸苄酯
• 英文别名: Tiglinsaeure-benzylester; FEMA 3330; benzyl trans-2,3-dimethylacrylate; MFCD00017279; Tiglic Acid Benzyl Ester; EINECS 253-544-8; 2-methyl-crotonic acid benzyl ester; Benzyl-2-methylcrotonat; benzyl 2-methylcrotonate; benzyl E-2-methyl-2-butenoate; BENZYL 2-METHYL-2-BUTENOATE; Benzyl Tiglate; 2-Methyl-crotonsaeure-benzylester; BENZYL TRANS-2-METHYL-2-BUTENOATE

物化性质

• 密度: 1.031 g/mL at 25 °C(lit.)
• 沸点: 139 °C9 mm Hg(lit.)
• 分子式: C₁₂H₁₄O₂
• 分子量: 190.23800
• 闪点: >230 °F
• 精确质量: 190.09900
• PSA: 26.30000
• LogP: 2.69600
• 折射率: n20/D 1.522(lit.)
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  1. 常规情况下不会分解，没有危险反映。

  2. 存在于烟叶中。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.8

  2、 氢键供体数量：0

  3、 氢键受体数量：2

  4、 可旋转化学键数量：4

  5、 拓扑分子极性表面积（TPSA）：26.3

  6、 重原子数量：14

  7、 表面电荷：0

  8、 复杂度：212

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：1

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状： 液体

  2. 密度（g/mL,20 ºC）：1.031

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）： 未确定

  5. 沸点（ºC,17mm hg）： 139（1.2kpa）

  6. 沸点（ºC,91kPa）：未确定

  7. 折射率_(n²⁰_D)：1.522

  8. 闪点（ºC）：＞110

  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：不能溶解的

MSDS

Benzyl Tiglate Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:Benzyl Tiglate Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):Benzyl Tiglate Percent:>97.0%(GC) CAS Number:37526-88-8 Synonyms:Tiglic Acid Benzyl Ester Chemical Formula:C12H14O2 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. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Extinguishing media not to Solid streams of water be used: Benzyl Tiglate Section5. FIRE-FIGHTING MEASURES 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. 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 Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapor or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapor or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Law is followed. Packaging material: 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. 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):Liquid Form:clear Color:Colorless - Very pale yellow Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:134 °C/1.2kPa Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:1.04 Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. No special reactivity has been reported. Reactivity: Incompartible materials: oxidizing agents Benzyl Tiglate 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): Mobillity 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 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): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Benzyl Tiglate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常来说对水是无害的，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): R36/38
• 安全声明 (欧洲): S26-S36
• WGK德国: 2
• 海关编码: 2916190090

合成路线

80-59-1 100-51-6 ~10% 37526-88-8

文献：Ishihara, Kazuaki; Nakayama, Masaya; Ohara, Suguru; Yamamoto, Hisashi Tetrahedron, 2002 , vol. 58, # 41 p. 8179 - 8188

80-59-1 100-39-0 ~43% 37526-88-8

文献：Lynch, Christopher L.; Hale, Jeffrey J.; Budhu, Richard J.; Gentry, Amy L.; Finke, Paul E.; Caldwell, Charles G.; Mills, Sander G.; MacCoss, Malcolm; Shen, Dong-Ming; Chapman, Kevin T.; Malkowitz, Lorraine; Springer, Martin S.; Gould, Sandra L.; DeMartino, Julie A.; Siciliano, Salvatore J.; Cascierl, Margaret A.; Carella, Anthony; Carver, Gwen; Holmes, Karen; Schleif, William A.; Danzeisen, Renee; Hazuda, Daria; Kessler, Joseph; Lineberger, Janet; Miller, Michael; Emini, Emilio Organic Letters, 2003 , vol. 5, # 14 p. 2473 - 2475

1730-91-2 100-51-6 ~% 37526-88-8

文献：Advanced Synthesis and Catalysis, , vol. 350, # 13 p. 2033 - 2038

100-44-7 ~% 37526-88-8

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 503,503, 505; engl. Ausg. S. 494, 496

上下游产品

上游产品  5
80-59-1 100-51-6 100-39-0 1730-91-2
100-44-7
下游产品  4
137-32-6 616-16-0 1565-80-6 56423-40-6

制备

【方法一】
由惕各酸与苯甲醇在共沸条件下直接酯化而成。

海关

海关编码	2916190090
中文概述	2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。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, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	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	2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%