Hexyl mandelate

CAS 5431-31-2 MFCD N/A

化学结构图

5431-31-2
SMILES: CCCCCCOC(=O)C(O)c1ccccc1

化学属性

Mol. FormulaC14H20O3
Mol. Weight236.34

别名和识别编码

Wiswesser Line NotationQYR&VO6
Chemical NameBenzeneacetic acid, alpha-hydroxy-, hexyl ester (9CI)
Synonym AI 3-4202 Hexyl mandelate Benzeneacetic acid, alpha-hydroxy-, hexyl ester Hexylester kyseliny mandlove
CAS Number5431-31-2
Beilstein Registry Number3135230
InChIKeyWTWKQARYVVXCNG-UHFFFAOYSA-N
PubChem Substance ID21565
InChIInChI=1S/C14H20O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h5-7,9-10,13,15H,2-4,8,11H2,1H3
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安全信息

RTECSOO7400000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 17 gm/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:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 15400 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:
   23,95,1962

系列性分类

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