beta-Thujone (一)-宁酮

CAS 471-15-8 MFCD00471158

化学结构图

471-15-8
SMILES: CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2

化学属性

Mol. FormulaC10H16O
Mol. Weight152.26

别名和识别编码

Chemical Name3-Thujanone, (1S,4S,5R)-(+)-
Chemical Name Translation(一)-宁酮
Chemicalbook IDCB7299582
Synonym (+)-thujone (-)-thujone 3-isothujone 3-thujanone Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, alpha, beta-thujone alpha-thujone beta-thujone beta-thujone, (1S-(1alpha,4alpha,5alpha))-isomer beta-thujone, (1alpha,4alpha,5alpha)-isomer beta-thujone, 1S-(1alpha,4beta,5alpha)-isomer cis-thujone thujone
Wiswesser Line NotationL35 EVTJ AY1&1 D1
CAS Number471-15-8
PubChem Substance ID91456
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1
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安全信息

RTECSXO9630000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 442 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 19,1054,1976

Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

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