alpha-Ionone

CAS 6901-97-9 MFCD06901979

化学结构图

6901-97-9
SMILES: CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=O

化学属性

Mol. Weight192.33
Mol. FormulaC13H20O

别名和识别编码

Synonym alpha-Ionone (±)-3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one alpha-Cyclocitrylideneacetone 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
InChIKeyUZFLPKAIBPNNCA-BQYQJAHWSA-N
Chemical Namealpha-Ionone
Wiswesser Line NotationL6UTJ A1 E1 E1 F1U1V1
CAS Number6901-97-9
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment

相关文献及参考

  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSEN0525000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2277 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 44A,46,1967

系列性分类

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