Isoamyl DL-Mandelate DL-扁桃酸异戊酯

CAS 5421-04-5 MFCD00021858

化学结构图

5421-04-5
SMILES: CC(C)CCOC(=O)C(O)c1ccccc1

化学属性

Mol. FormulaC13H18O3
Mol. Weight222.28
Refractive index1.4940 to 1.4990
Boiling Point169°C/18mmHg(lit.)

别名和识别编码

Chemical NameIsoamyl DL-Mandelate
MDL NumberMFCD00021858
CAS Number5421-04-5
Synonym Isopentyl phenylglycolate 异戊基 DL-扁桃酸酯 Mandaverm Spasmostenyl Atractyl Mandelic acid, isopentyl ester Vermiparin alpha-Hydroxy-3-methylbutyl benzeneacetate Isoamyl mandelate Spasmol Mandelic acid isoamyl ester
PubChem Substance ID87572724
Reaxys-RN2725652
Merck Number5718
Chemical Name TranslationDL-扁桃酸异戊酯
LabNetwork Molecule IDLN00221356
InChIInChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
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分类

  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Signal word Warning
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCY1633900
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。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 14500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 2,165,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 23100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 2,165,1952

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. C12 to C63 - Esters

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