Benzalbutyric acid

CAS 6052-53-5 MFCD01960866

化学结构图

6052-53-5
SMILES: C/C(=C\c1ccccc1)CC(=O)O

化学属性

Mol. FormulaC11H12O2
Mol. Weight176.23

别名和识别编码

Chemical NameBenzalbutyric acid
InChIKeyJUHFTROMPGJNSA-CMDGGOBGSA-N
Wiswesser Line NotationQV1Y1&U1R &QV1UY1&1R
Synonym beta-Benzalbutyrate beta-Benzalbutyric acid 3-Methyl-4-phenyl-3-butenoic acid 3-Methyl-4-phenyl-2(or 3)-butenoic acid beta-Benzylidenebutyric acid
CAS Number6052-53-5
PubChem Substance ID6377641
InChIInChI=1S/C11H12O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7+
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安全信息

RTECSEM9257000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#08423

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 520 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 16,23,1961

系列性分类

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