Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (9CI)

CAS 584-44-1 MFCD00584441

化学结构图

584-44-1
SMILES: Cc1cc(O)c(C(C)C)cc1C(=O)O

化学属性

Mol. FormulaC11H14O3
Mol. Weight194.25

别名和识别编码

Chemical NameBenzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (9CI)
Synonym 2-Methyl-4-hydroxy-5-isopropylbenzoic acid Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- p-Thymotic acid p-Thymotinic acid 5-Hydroxy-p-cymene-2-carboxylic acid
CAS Number584-44-1
Beilstein Registry Number2833754
Chemicalbook IDCB92164598
InChIKeyFZGYCAHIHBHTNY-UHFFFAOYSA-N
PubChem Substance ID11440
InChIInChI=1S/C11H14O3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3,(H,13,14)
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安全信息

RTECSGZ6002995 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 57,989,1968

系列性分类

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