3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one

CAS 4940-13-0 MFCD N/A

化学结构图

4940-13-0
SMILES: CC(C)C(O)c1occc(=O)c1O

化学属性

Mol. Weight184.21
Mol. FormulaC9H12O4

别名和识别编码

Wiswesser Line NotationT6O DVJ BYQY1&1 CQ
Chemical Name4H-Pyran-4-one, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)
Synonym 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one
CAS Number4940-13-0
InChIKeyLEHJPVXVDQTGBS-UHFFFAOYSA-N
PubChem Substance ID199785
InChIInChI=1S/C9H12O4/c1-5(2)7(11)9-8(12)6(10)3-4-13-9/h3-5,7,11-12H,1-2H3
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安全信息

RTECSUQ0900000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1510 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 28,2570,1980

系列性分类

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