Phenyl Acetate 乙酸苯酯

CAS 122-79-2 MFCD00008699

化学结构图

122-79-2
SMILES: CC(=O)Oc1ccccc1

化学属性

Mol. FormulaCH3COOC6H5
Mol. Weight136
Refractive index1.5000 to 1.5040
Boiling Point195°C
Density1.077
Flash Point80°C
TSCAYes
Solubility微溶于水,可混溶于醇、氯仿、醚。
pH:A

别名和识别编码

Chemical NamePhenyl Acetate
Synonym Acetic acid, phenyl ester Phenylacetate 99% Phenyl ester of acetic acid 乙酸苯酯 ESSIGSAEURE-PHENYLESTER PHENYL ACETATE 99+% Phenylacetate O-Acetylphenol Acetyl phenol (Acetyloxy)benzene Phenylacetat 醋酸苯酯
CAS Number122-79-2
PubChem Substance ID87561746
EC Number204-575-0
Beilstein Registry Number6(4)611
MDL NumberMFCD00008699
Reaxys-RN636458
Merck Number7267
Chemical Name Translation乙酸苯酯
Wiswesser Line Notation1VOR
LabNetwork Molecule IDLN00193139
InChIInChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA}
  • Bioactive Small Molecules, Building Blocks, C8 to C9, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Esters, Organic Building Blocks, P
  • {SNA} Bioactive Small Molecules, Building Blocks, C8 to C9, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Esters,
  • {SNA} Building Blocks,
  • {SNA} Bioactive Small Molecules, Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks, P,

产品应用

  • 溶剂。有机合成。

相关文献及参考

  • Short: II/27B
  • Merck: 14,7267 Beilstein:6(4)611
  • Short: III/35D2

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi
RTECSAJ2800000
Signal word
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P312+P330
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
Storage condition 密封阴凉干燥保存。
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1630 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 8 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 11/4/1964

其他信息

  • 有石炭酸气味。其折光性几乎与玻璃相同。能与乙醇、氯仿和乙醚任意混溶,溶于冰乙酸,几乎不溶于水。低毒,半数致死量(大鼠,经口)1630mg/kg。有刺激性。
  • MSDS 信息:乙酸苯酯(122-79-2).msds
  • FEMA:3958
  • 方法一:由苯酚钠与乙酐反应而得。将苯酚加入15%的氢氧化钠溶液中,搅拌溶解配制成酚钠溶液,加入乙酐,于30-40℃反应。所得的反应产物依次用水、5%氢氧化钠溶液、水洗涤,经氯化钙干燥后,蒸馏而得成品。此法所需的反应时间很短,收率约77%。另一种操作方法是将苯酚和乙酐一起加热至沸,回流3h,冷却后依次进行水洗、碱洗、水洗,经无水硫酸钠干燥后,蒸馏收集190-195℃馏分,好为乙酸苯酯。收率约83%。
  • 下游产品:对羟基苯乙酮 --> 4-苄氧基-3-硝基苯乙酮
  • 参考质量标准:FAO/WHO,2000 含量(GT-10-4) ≥97% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.500~1.506 相对密度(d 25 25 ) 1.073~1.079
  • 图谱信息:乙酸苯酯(122-79-2)质谱(MS) 乙酸苯酯(122-79-2)核磁图( 13 CNMR) 乙酸苯酯(122-79-2)红外图谱(IR1)
  • 用途一:用作溶剂和有机合成的中间体,乙酸苯酯经转位反应得到羟苯乙酮,用于治疗急慢性黄疸型肝炎、胆囊炎。
  • Hazard Note:Irritant
  • Acros Organics:乙酸苯酯 Phenyl acetate, 97%(122-79-2)
  • 外观性质:无色液体。
  • MOL 文件:122-79-2.mol
  • 乙酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0043 乙酸苯酯 Phenyl Acetate 500G 452元 2014/06/02 A0043 乙酸苯酯 Phenyl Acetate 25G 129元 2010/06/21 148771000 乙酸苯酯 Phenyl acetate 97% 100 GR 307元
  • Alfa Aesar:乙酸苯酯,99% Phenyl acetate, 99%(122-79-2)
  • TCI Shanghai:乙酸苯酯 Phenyl Acetate,>;98.0%(GC)(122-79-2)
  • Sigma Aldrich:122-79-2(sigmaaldrich)

系列性分类


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