Ethyl 3-Methyl-3-phenylglycidate (mixture of isomers) 3-甲基-3-苯基缩水甘油酸乙酯(异构体混合物)

CAS 77-83-8 MFCD00022338

化学结构图

77-83-8
SMILES: CCOC(=O)C1OC1(C)c1ccccc1

化学属性

Mol. FormulaC12H14O3
Mol. Weight206.24
Density1.087
Refractive index1.5030 to 1.5070
Flash Point38°C
TSCAYes
Boiling Point272-275°C at 760 mmHg
Appearance 5.47g/kg，ADI 0～0.5mg/kg(FAO/WHO，1996)。 无色至浅黄色液体，具有强烈草莓水果香气。沸点260℃。溶于乙醇、乙醚，能与邻苯二甲酸二乙酯混溶，不溶于水和甘油。大白鼠经口LD 50

别名和识别编码

Chemical NameEthyl 3-Methyl-3-phenylglycidate (mixture of isomers)
Synonym Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxirane-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-3-phenyloxi
MDL NumberMFCD00022338
CAS Number77-83-8
EC Number201-061-8
Beilstein Registry Number12299
PubChem Substance ID6501
Reaxys-RN12299
Chemical Name Translation3-甲基-3-苯基缩水甘油酸乙酯(异构体混合物)
InChIKeyLQKRYVGRPXFFAV-UHFFFAOYSA-N
Wiswesser Line NotationT3OTJ B1 BR& CVO2
LabNetwork Molecule IDLN00195835
InChIInChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
Canonical SMILESO=C(C1OC1(C)C2=CC=CC=C2)OCC
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分类

  • {SNA} Alphabetical Listings, E-F, E-H, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F, E-G, E-H, Flavors and Fragrances, Kosher Certified Products

安全信息

RTECSMW5250000
GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P333+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes 3 Xi
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 1993
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5470 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4050 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 50 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 16 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

其他信息

  • 上游原料:二甲苯 --> 乙醇钠 --> 氯乙酸乙酯 --> 乙酰苯 --> 氨基钠 --> 苯丙酮
  • 杨梅醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B23654 3-甲基-3-苯基缩水甘油酸乙酯, cis + trans, 98% Ethyl 3-methyl-3-phenylglycidate, cis + trans, 98% 50g 329元 2010/05/25 B23654 3-甲基-3-苯基缩水甘油酸乙酯, cis + trans, 98% Ethyl 3-methyl-3-phenylglycidate, cis + trans, 98% 250g 897元 2010/05/25 B23654 3-甲基-3-苯基缩水甘油酸乙酯, cis + tra
  • 毒性:Adl 0～0.5mg/kg(FAO/WHO，1994)。 GRAS(FDA，182．60，2000) LD50 5470mg/kg(大鼠，经口)。
  • Sigma Aldrich:77-83-8(sigmaaldrich)
  • 含量分析:方法一精确称取试样约1g，按酯测定法(OT-18)中的方法一测定。计算中的当量因子(e)取103.1。 方法二用气相色谱法(GT-10-4)测定。条件为： 柱1.
  • 用途四:草莓醛是我国《食品添加剂使用卫生标准》规定暂时允许使用的食品香料，主要用于配制樱桃、葡
  • 方法三:本品无系人工合成，由苯乙酮与氯代乙酸乙酯在乙醇钠存在下缩合，即通过克兰荪（Claisen）反应制得。以苯乙酮计，收率40%左右。
  • 参考质量
  • 所属类别二:食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • 海关编码:29189090
  • 可溶于3倍体积的60%乙醇，溶于乙醚和氯仿，可与邻苯二甲酸二乙酯、苄基苯甲酸混溶，几乎不溶于甘油、水。
  • 使用限量:FEMA(mg/kg)：软饮料5.6；冷饮6.7糖果21；焙烤食品18；布丁类13；胶姆
  • 杨梅醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B23654 3-甲基-3-苯基缩水甘油酸乙酯, cis + trans, 98% Ethyl 3-methyl-3-phenylglycidate, cis + trans, 98% 50g 329元 2010/05/25 B23654 3-甲基-3-苯基缩水甘油酸乙酯, cis + trans, 98% Ethyl 3-methyl-3-phenylglycidate, cis + trans, 98% 250g 897元 2010/05/25 B23654 3-甲基-3-苯基
  • MSDS 信息:3-Methyl-3-phenyl glycidic acid ethyl ester(77-83-8).msds
  • 用途五:本品具有强烈的杨梅香，通常在稀释后用作杨梅香精的调合原料，也用于化妆品，在调合玫瑰、风信子和仙客来等化妆品用花精渍时，加入微量本品就可产生特殊效果。
  • 参考质量标准二:QB 1785--1993 含量/%@≥98.0 相对密度d 25 25 @1.086～1.112 折射率n D 20 @1.504~1.513 酸值@≤2.0 溶解度(25℃)1mL试样溶于4mL70%(体积分数)乙醇 香气@强烈果香，似草莓香气
  • 使用限量:FEMA(mg/kg)：软饮料5.6；冷饮6
  • 含量分析:方法一精确称取试样约1g，按酯测定法(OT-18)中的方法一测定。计算中的当量因子(e)取103.1。 方法二用气相色谱法(GT-10-4)测定。条件为： 柱1.6 m×3.0mm内径玻璃柱。填料为改进曩聚乙二醇20M(SPl000)4%，载体为硅藻土载体。气为氦或氮；流速50ml/min。检测器用FID，操作温度250℃。柱温：等温段约200℃；进样温度约225℃。 取试样1.0μl，注入气相色谱仪。所得的色谱中有两个高度基本上是相等的主峰，它们是顺式和式杨梅醛的两种异构体，其周围有若干较矮的峰。，据顺式和反式异构体的峰的高度或峰的面积即可求出草梅醛的含量。

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

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