Ethyl 3-Phenylglycidate 3-苯基环氧乙烷甲酸乙酯

CAS 121-39-1 MFCD00005123

化学结构图

121-39-1
SMILES: CCOC(=O)C1OC1c1ccccc1

化学属性

Mol. FormulaC11H12O3
Mol. Weight192
Density1.102 g/mL at 25 °C(lit.)
Refractive index1.5170 to 1.5210
Flash Point>110°(230°F)
TSCAYes
Boiling Point152°C/16mmHg(lit.)
Appearance 无色至微黄色液体，具有强烈的草莓似香味和草莓酱似滋味。沸点228℃。混溶于乙醇、乙醚、氯仿和非挥发性油，几不溶于水，不溶于丙二醇和甘油。

别名和识别编码

Chemical NameEthyl 3-Phenylglycidate
CAS Number121-39-1
MDL NumberMFCD00005123
Synonym GLYCIDIC ACID, 3-PHENYL:ETHYL ESTER 3-苯基-缩水甘油酸乙酯 3-苯基缩水甘油酸乙酯, CIS + TRANS, 90+% ethyl2,3-epoxy-3-phenylpropionate ethyl3-phenyloxiranecarboxylate ethyl3-phenyloxirane-2-carboxylate Ethyl 3-phenyloxiranecarboxylate ethyl3-phenylglycidate,mixtureofcisandtrans ethyl3-phenyloxirane ETHYL PHENYLGLYCIDATE Ethyl 3-phenylglycidate FEMA 2454 Ethyl 3-phenyloxirane-2-carboxylate 3-PHENYLGLYCIDIC ACID ETHYL ESTER 3-苯基缩水甘油酸乙酯,CIS +TRANS 3-苯基环氧乙烷甲酸乙酯, CIS + TRANS, 90+% ETHYL A B-EPOXYHYDROCINNAMATE Ethyl alpha,beta-epoxyhydrocinnamate 3-PHENYLOXIRANECARBOXYLIC ACID ETHYL ESTER Ethyl 3-phenyl-2-oxiranecarboxylate {Chemic
EC Number204-467-3
PubChem Substance ID8469
Reaxys-RN163394
Beilstein Registry Number18(5)6,373
Chemical Name Translation3-苯基环氧乙烷甲酸乙酯
Wiswesser Line NotationT3OTJ BOV2 CR
LabNetwork Molecule IDLN01742275
InChIInChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Epoxides, Organic Building Blocks, Oxygen Compounds
  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances, Halal Certified Products
  • {SNA} Alphabetical Listings, E - H, E-F, Flavors and Fragrances, Halal Certified Products
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香

安全信息

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
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
Storage condition Moisture Sensitive 0-10 0-6°C 0-10°C
RTECSMB4970000
WGK Germany2
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)
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338
  • P302+P352+P332+P313+P362+P364
Hazard Codes Xi
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,101,1975

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 103 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 138,1,1984

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 103 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 138,1,1984

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,269,1981

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 103 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 138,1,1984

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 103 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 138,1,1984

其他信息

  • 含量分析:按酯测定法(OT-18)中方法一进行。所取试样量为1.4g。计算中的当量因子(e)取96.11。
  • 参考质量标准:FCC，1997 含量 ≥98.0% 折射率(n D 20 ) 1.514～1.521 相对密度(d 25 25 ) 1.120～1.125 醇中溶解度(OT-43) 1m1溶于6mL，70%乙醇，或1mL80%乙醇，仍透明 酸值(OT-4) ≤3
  • 上游原料:乙醇 --> 乙酸 --> 钠 --> 甲苯 --> 三乙胺 --> 苯甲醛 --> 甲酸乙酯 --> 氯乙酸乙酯 --> 丙酸 --> 碘乙烷 --> 蒽醌-2-磺酸钠
  • FEMA:2454
  • 方法一:由苯甲醛和一氯乙酸乙酯在碱性缩聚剂存在下反应而得。 在银盐催化下由苯环氧丙酸与碘乙烷反应而得。
  • MOL 文件:121-39-1.mol
  • 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（g/kg） 3-苯基缩水甘油酸乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • Alfa Aesar:3-苯基环氧乙烷甲酸乙酯,cis+trans,90+% Ethyl 3-phenylglycidate, cis + trans, 90+%(121-39-1)
  • 毒性:ADI尚未规定(FAO/WHO，1994)。 LD 50 2300mg/kg(大鼠，经口)。
  • Sigma Aldrich:121-39-1(sigmaaldrich)
  • 使用限量:FEMA(mg/kg)：软饮料4.6；冷饮12；糖果18；焙烤食品20；布丁类10～70。 适度为限(FDA§172．515，2000)。
  • 敏感性:Moisture Sensitive
  • 用途一:GB 2760—1996允许使用的食用香料。主要用于配制草莓，樱桃之类浆果型香精。
  • Acros Organics:Ethyl 3-phenylglycidate, mixture of cis and trans, 90%(121-39-1)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. E-F - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Epoxides - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Epoxides - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Enol Ethers

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