2,6-Cresotic acid, 3-tert-butyl-

CAS 6934-03-8 MFCD00020269

化学结构图

6934-03-8
SMILES: Cc1ccc(C(C)(C)C)c(O)c1C(=O)O

化学属性

Mol. FormulaC12H16O3
Mol. Weight208.28

别名和识别编码

Chemical Name2,6-Cresotic acid, 3-tert-butyl-
Wiswesser Line NotationQVR BQ F1 CX1&1&1
Synonym 3-tert-Butyl-6-methylsalycilic acid Salycilic acid, 3-tert-butyl-6-methyl- 2-Methyl-5-tert-butylsalicylic acid
CAS Number6934-03-8
Beilstein Registry Number2581616
InChIKeyJXQCUCDXLSGQNZ-UHFFFAOYSA-N
PubChem Substance ID23361
InChIInChI=1S/C12H16O3/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6,13H,1-4H3,(H,14,15)
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安全信息

RTECSGP3922000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 132 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: 20,506,1965

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 237 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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