Ethyl benzoate 苯甲酸乙酯

CAS 93-89-0 MFCD00009109

化学结构图

93-89-0
SMILES: CCOC(=O)c1ccccc1

化学属性

Mol. FormulaC9H10O2
Mol. Weight150.17
Density1.045
Vapor Density5.17 (vs air)
Autoignition Point914 °F
Boiling Point212 °C at 760 mmHg
Vapor Pressure1 mmHg ( 44 °C)
Refractive index1.5040 to 1.5070
Melting Point-34 °C
Flash Point84.44°C
TSCAYes
Solubility不溶
Stability对湿度敏感
Danger-Level甲类

别名和识别编码

Chemical NameEthyl benzoate
CAS Number93-89-0
EC Number202-284-3
Beilstein Registry Number1908172
MDL NumberMFCD00009109
Synonym Ethyl benzoate {LY} Ethyl benzoate {} {LY} Ethyl benzoate {} {} {LY} Ethyl benzoate {} {} {} {LY} Ethyl benzoate {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl benzoate {} {} {} {} {} {}
PubChem Substance ID87563271
Merck Number3766
Chemical Name Translation苯甲酸乙酯
Reaxys-RN1908172
Wiswesser Line Notation2OVR
LabNetwork Molecule IDLN00195078
Canonical SMILESO=C(OCC)C1=CC=CC=C1
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分类

  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Nutrition Researc
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-F, E-G, E-H, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-F, E-G, E-H, Flavors and Fragrances, Food Safe Elite, Kosher Certified Products
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds,

产品应用

  • 有机合成，溶剂，香料。

相关文献及参考

  • Short: II/27B
  • Merck: 14,3766 Beilstein:9,110
  • Merck: 14,3766
  • Short: II/3

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
RTECSDH0200000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2630 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Skin and Appendages - hair
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 84,358,1945

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2100 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
   Skin and Appendages - hair
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 84,358,1945

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle weakness
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 84,358,1945

其他信息

  • 图谱信息:苯甲酸乙酯(93-89-0)红外图谱(IR1) 苯甲酸乙酯(93-89-0)红外图谱(IR2) 苯甲酸乙酯(93-89-0)质谱(MS) 苯甲酸乙酯(93-89-0)核磁图( 13 CNMR) 苯甲酸乙酯(93-89-0)Raman光谱 苯甲酸乙酯(93-89-0)核磁图( 1 HNMR)
  • FEMA:2422
  • Alfa Aesar:苯甲酸乙酯,99% Ethyl benzoate, 99%(93-89-0)
  • 参考质量标准二:指标名称@QB 1779—93@FCC．1996 含量 ≥99.0% ≥98.0 折射率(n D 20 ) 1.5030～1.5060 1.502～I.506 醇中溶解度(OT-43) 60%乙醇(1：6) 60%乙醇(1：6) 相对密度(d 25 25 ) 1.043～1.046 1.043～1.046 酸值(OT-14) ≤1.0 ≤1.0 氯化物
  • 苯甲酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30083128 苯甲酸乙酯 500ml 29元 2011/04/16 B0069 苯甲酸乙酯 Ethyl Benzoate 500ML 232元 2011/04/16 B0069 苯甲酸乙酯 Ethyl Benzoate 25ML 121元
  • 用途六:该品具有冬青油和卡南迦油香气，香调和顺且带甜。用于配制人造依兰油及月下香油。可微量用于食用香精、烟草及食用浆果类香精，也可用作纤维素酯、纤维素醚、树脂类的溶剂。
  • 下游产品:苯甲
  • 用途一:
  • 用途四:GB 2760一96规定为允许使用的食用香料。主要用于调制樱桃、黑穗状醋栗(黑加仑子)、草莓等型香精。
  • 海关编码:29163100
  • 参考质量标准一:QB 1779—1993 含量/% ≥99.0 相对密度d 25 25 1.043～1.046 折射率n D 20 1.503～1.506 酸值 ≤1.0 氯化物试验 阴性 溶解度(20℃) 1mL试样溶于6mL60%(体积分数)乙醇 色状 无色透明液体，色泽不超过4号色标 香气 果香，略似依兰油香气
  • 蒸气压:1 mm Hg ( 44 °C)
  • 方法二:由苯甲酸和乙醇在无水硫酸铝和微量硫酸存在下酯化而成。
  • 有芳香气味，有折光性，能与醇、醚、氯仿和石油醚混溶，几乎不溶于水。低毒，半数致死量（大鼠，经口）2100mg/kg。其蒸气能引起咳嗽。有刺激性。
  • 使用限量:FEMA(mg/kg)：软饮料2.8；冷饮2.8；糖果9.0；焙烤食品10；布丁类0.06；胶姆糖
  • 方法一:在250mL带有分水器的三口瓶中加入24.4g(0.2mo1)苯甲酸、50mL苯、18.4g(0.4mo1)乙醇和0.8g硫酸，缓缓加热回流至分水器无水
  • TCI Shanghai:苯甲酸乙酯 Ethyl Benzoate,>;99.0%(GC)(93-89-0)
  • 毒性:ADI 5mg/kg(CE)。GRAS(FEMA)． LD 20 2100mg/kg(大鼠，经口)。
  • 用途五:常用于较重花香型中，尤其是在依兰型中，其他如香石竹、晚香玉等香型香精。亦适用于配制新刈草、香薇等非花香精中。可与岩蔷薇制品共用于革香型香精。也用做食用香料，在鲜果、浆果、坚果香精中均可适用，如香蕉、樱桃、梅子、葡萄等香精以及烟用和酒用香精中。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量
  • 用途七:有机合成，溶剂，香料。
  • 所属类别一:食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • MOL 文件:93-89-0.mol
  • 所属类别二:食品添加剂: 食品香料
  • 方法三:由苯甲酸与乙醇经酯化而得。
  • 蒸气密度:5.17 (vs air)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C6 to C7
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Catalysts for Organic Synthesis 有机合成催化剂
  4. Iridium

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