Pivalic acid, ester with 2-hydroxyacetophenone

CAS 2522-81-8 MFCD00868933

化学结构图

2522-81-8
SMILES: CC(C)(C)C(=O)OCC(=O)c1ccccc1

化学属性

Mol. FormulaC13H16O3
Mol. Weight220.29

别名和识别编码

Chemical NamePivalic acid, ester with 2-hydroxyacetophenone
Synonym Phenacylpivalate Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester Pibecarb Benzoylcarbinol trimethylacetate Benzoylcarbinyl trimethylacetate
CAS Number2522-81-8
Beilstein Registry Number1873883
PubChem Substance ID71114
InChIInChI=1S/C13H16O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
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安全信息

RTECSTO7876400 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,1895,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Cardiac - change in rate
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Cardiac - cardiomyopathy including infarction
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,1895,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4900 mg/kg
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,1895,1974

{

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE                    : 91 gm/kg
SEX/DURATION            : female 26 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,1913,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE                    : 91 gm/kg
SEX/DURATION            : male 26 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,1913,1974

系列性分类

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