Ethyl Phenylacetate 苯乙酸乙酯

CAS 101-97-3 MFCD00009178

化学结构图

101-97-3
SMILES: CCOC(=O)CC1CCCCC1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Density1.03
Refractive index1.4950 to 1.4980
Boiling Point229 °C at 760 mmHg
Flash Point107°C(lit.)
TSCAYes
Melting Point-29 °C
Solubility不溶于水，与乙醇、乙醚等有机溶剂混溶。
Stability对湿度敏感
Appearance 苯乙酸乙酯(101-97-3)为无色液体。熔点-29℃,沸点226℃，135℃（4.27kPa），121℃（2.67kPa），相对密度1.0333（20/4℃），折光率1.4975，闪点77℃。能与乙醇、乙醚、苯和氯仿混溶，不溶于水。有令人愉快的气味。

别名和识别编码

Chemical NameEthyl Phenylacetate
CAS Number101-97-3
EC Number202-993-8
Beilstein Registry Number509140
MDL NumberMFCD00009178
Synonym Ethyl 2-phenylacetate {LY} Ethyl 2-phenylacetate {} {LY} Ethyl 2-phenylacetate {} {} {LY} Ethyl 2-phenylacetate {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87574377
Merck Number3840
Reaxys-RN509140
Chemical Name Translation苯乙酸乙酯
Wiswesser Line Notation2OV1R
LabNetwork Molecule IDLN00225443
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
Canonical SMILESO=C(OCC)CC1=CC=CC=C1
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分类

  • {SNA} A-F, A-L, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F, E-G, E-H,
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings,

产品应用

  • 香料，溶剂，有机合成。

相关文献及参考

  • Merck:14,3840 Beilstein:9,434
  • Short: II/27B
  • Merck:14,3840
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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；
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
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • P337+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
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)
RTECSAJ2824000
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 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: 13,99,1975

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 21 mg/disc
REFERENCE :
   OIGZDE Osaka-shi Igakkai Zasshi.  Journal of Osaka City Medical Association.
    (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho,
   Abeno-ku, Osaka, 545, Japan) V.24-    1975- Volume(issue)/page/year:
   34,267,1985

其他信息

  • 用途一:用于配制各种花香型日用香精
  • 含量分析:精确称取试样约1.0g，然后按酯测定法(OT-18)中的方法二进行测定。计算中的当量因子(e)取82.10。 宜按GT-10-4气相色谱法中用非极性柱方法测定。
  • MSDS 信息:Phenylacetic acid ethyl ester(101-97-3).msds
  • 检测方法:GC
  • 下游产品:苯乙醇 --> 乙酰胺 --> 稻丰散 --> 2-苯基丙二酰胺 --> 苯巴比妥 --> 苯基乙基丙二酸二乙酯 --> 布西拉明 --> 1-苯基-1-环丙羧酸 --> α-氯代苯乙酸乙酯 --> 苯基丙二酸二乙酯 --> 利可君
  • TCI Shanghai:苯乙酸乙酯 Ethyl Phenylacetate,>;99.
  • 参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 20 ) l.496～1.500 相对密度(d 25 25 ) 1.027～1.032 酸值(OT-4) ≤1.0 氯化物试验(OT-13) 阴性 醇中溶解度 1ml溶于3mI。70%乙醇
  • 方法一:由苯乙酸或氰化苄和乙醇在硫酸(或盐酸)催化下回流加热酯化而成。
  • 毒性:LD 50 3300mg/kg(大鼠，经口)。
  • FEMA:2452
  • 用途五:该品为合成香料，具有显著而甜密的玫瑰花香。较谱遍用于烟、皂、日用化妆品的香精中，少量用于白玫瑰，微量用于橙花、甜豆及蜂蜜果子的香精，适用于哈瓦那型草香精。在医药工业该品用于生产巴比妥类催眠药鲁米那，也可用作溶剂。
  • 苯乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30088080 苯乙酸乙酯 100ml 66元 2011/08/23 xp400090 苯乙酸乙酯 5ml 30元 2011/04/16 P0122 苯乙酸乙酯 Ethyl Phenylacetate 25ML 109元
  • 不溶于水，极溶于乙醇和乙醚。溶于氯仿。
  • MOL 文件:101-97-3.mol
  • 用途三:少量用于多种类型的香型中，主要用于中、低档白玫瑰、檀香玫瑰、铃兰、甜豆花、橙花、蜜香、三叶草及一些脂蜡香香型中。可广泛应用于烟用及食用香精中，是好的烟用香精的香料。在蜜香、奶油、杏子、樱桃、桃子等食用香精中用量宜少。
  • Alfa Aesar:苯基乙酸乙酯,99% Ethyl phenylacetate, 99%(101-97-3)
  • 用途六:香料，溶剂，有机合成。
  • 用途四:GB 2760—96规定为暂时允许使用的食用香料。主要用以配制蜂蜜、桃及烟草等型香精。
  • 海关编码:29163500
  • 图谱信息:苯乙酸乙酯(101-97-3)核磁图( 13 CNMR) 苯乙酸乙酯(101-97-3)质谱(MS) 苯乙酸乙酯(101-97-3)红外图谱(IR2) 苯乙酸乙酯(101-97-3)红外图谱(IR1) 苯乙酸乙酯(101-97-3)Raman光谱
  • 用途二:
  • 上游原料:氰化苄 --> 苯乙酸 --> 2-苯乙酰胺
  • 使用限量:FEMA(mg/kg)：软饮料2.4；冷饮5.2；糖果8.1；焙烤食品6.0；糖浆24。 适度为限(FDA§172．515，2000)。
  • 方法二:由苯乙腈、乙醇和硫酸回流反应而得。也可由苯乙酸与乙醇在硫酸作用下酯化制得苯乙酸乙酯，收率90%。另一种生产方法是由苯乙酰胺经水解、酯化而得。
  • Acros Organics:苯乙酸乙酯 Ethyl phenylacetate, 99%(101-97-3)
  • 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） 苯乙酸乙酯 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

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. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Apoptosis and Cell Cycle - Cell Signaling and Neuroscience
  5. Apoptosis Inhibitors - Apoptosis and Cell Cycle
  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. C10 to C11 - 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. C10 to C11 - 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

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