Α-(Trichloromethyl)Benzyl Acetate 乙酸α-(三氯甲基)苯甲酯

CAS 90-17-5 MFCD00000804

化学结构图

90-17-5
SMILES: CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl

化学属性

Mol. FormulaC10H9Cl3O2
Mol. Weight267.54
Melting Point86-89 °C
Appearance 白色或无色结晶。沸点280-282℃，熔点86-88℃，闪点>;100℃，溶于所有油质香料。具有玫瑰样的甜香带些青苦气，有些粉香、膏香气息，香气较持久。
Boiling Point282 °C at 760 mmHg

别名和识别编码

Chemical NameΑ-(Trichloromethyl)Benzyl Acetate
MDL NumberMFCD00000804
PubChem Substance ID253661882
CAS Number90-17-5
EC Number201-972-0
Synonym Alpha-(trichloromethyl)benzyl acetate {LY} Alpha-(trichloromethyl)benzyl acetate {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-(trichloromethyl)benzyl acetate {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation乙酸α-(三氯甲基)苯甲酯
Reaxys-RN2270144
Wiswesser Line NotationGXGGYR&OV1
Beilstein Registry Number2270144
LabNetwork Molecule IDLN01743893
InChIInChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
Canonical SMILESO=C(C)OC(C(Cl)(Cl)Cl)C1=CC=CC=C1
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分类

  • Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beil. 6 ,476
  • FT-IR 2 (2), 2790:D / FT-NMR 1 (2), 1202:A / RegBook 1 (2), 1873:C / Structure Index 1 , 300:C:1 / Vapor Phase 3 , 1336:C

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSAJ8375000
Precautionary statements
  • P332+P313
Signal word
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2 gm/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: 13,919,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6800 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: 13,919,1975

Storage condition

其他信息

  • Sigma Aldrich:90-17-5(sigmaaldrich)
  • 上游原料:氢氧化钾 --> 苯 --> 三氯化铝 --> 乙酰氯 --> 三氯乙醛
  • 用途二:可作为定香剂，广泛用于香精配方。特别是在玫瑰、香叶型香精，更适宜于香皂、浴盐和香粉香精中。用量通常为2%-4%。
  • MOL 文件:90-17-5.mol
  • 用途三:用作皂用香精的定香剂，制别适宜于皂用、化妆品用调合香精，在配方中可作协调剂，同时亦有极佳的定香作用。
  • 用途一:用于配制玫瑰、香叶香型化妆品和皂用香精
  • 方法一:将粉状苛性钾缓缓加入苯甲醛与氯仿乙醚的混合液中，搅拌冷却反应后静置24h，然后减压分馏，收集145-160℃（3.33kPa）馏份，得三氯甲基苄醇，然后与乙酰氯加热回流5h，再精馏即得成品。

系列性分类

  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

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