Apioline

CAS 523-80-8 MFCD00047270

化学结构图

523-80-8
SMILES: C=CCc1cc(OC)c2c(c1OC)OCO2

化学属性

Mol. FormulaC12H14O4
Mol. Weight222.24

别名和识别编码

Chemical NameApioline
Synonym 1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene 1-allyl-2,5-dimethoxy-3,4-methylenedioxybenzene 2,5-Dimethyl-3,4-methylendioxy-1-allyl benzene 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole 4,7-dimethoxy-5-(2-propen-1-yl)-1,3-benzodioxole 5-allyl-4,7-dimethoxy-1,3-benzodioxole 5-allyl-4,7-dimethoxy-benzo-1,3-dioxole Apiol Apiole Parsley apiol Parsley camphor apiole benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)- {} {} {} {uni_hamburg}
MDL NumberMFCD00047270
Chemical Name Translation
CAS Number523-80-8
Wiswesser Line NotationT56 BO DO CHJ FO1 H2U1 IO1
Beilstein Registry Number0195747
PubChem Substance ID10659
LabNetwork Molecule IDLN01282159
InChIInChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; ether; 1fragment
  • {SNA} Benzodioxanes, Building Blocks, C12, Chemical Synthesis, Ethers, Halogenated Heterocycles, Heterocyclic Building Blocks, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM&
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.;

安全信息

RTECSCY2500000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale.  (Casa
   Editrice Idelson, Via A. de Gasperi, 55, 80133 Naples, Italy)  V.2- 1927- 
   Volume(issue)/page/year: 14,291,1939

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1515 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 35,342,1895

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1613,1984

WGK Germany3

系列性分类


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