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18456-87-6,MFCD00150873
Catalog No.:AA003MQP

18456-87-6 | 5-Isopropyl-1,3-cyclohexanedione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$36.00   $25.00
- +
1g
≥ 99% (GC)
in stock  
$122.00   $86.00
- +
5g
99% (GC)
in stock  
$334.00   $234.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MQP
Chemical Name:
5-Isopropyl-1,3-cyclohexanedione
CAS Number:
18456-87-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00150873
SMILES:
CC(C1CC(=O)CC(=O)C1)C
Properties
Properties
 
BP:
259.1 °C at 760 mmHg  
Form:
Solid  
MP:
63-65 °C(lit.);  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Frank;Hall[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1645,1646]

2032-34-0    18456-87-6   
3-(3,6-diisopropyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydro-xanthen-9-yl)-propionitrile 

[1]JournalfurpraktischeChemie(Leipzig1954),1940,vol.<2>155,p.65,73

[1]Crossley;Renouf[JournaloftheChemicalSociety,1915,vol.107,p.607]

[2]Crossley;Pratt[JournaloftheChemicalSociety,1915,vol.107,p.174]

[1]El-Deeb,IbrahimYussif;Funakoshi,Tatsuya;Shimomoto,Yuya;Matsubara,Ryosuke;Hayashi,Masahiko[JournalofOrganicChemistry,2017,vol.82,#5,p.2630-2640]

[2]Gyulavári,Pál;Szokol,Bálint;Szabadkai,István;Brauswetter,Diána;Bánhegyi,Péter;Varga,Attila;Markó,Péter;Boros,Sándor;Illyés,Eszter;Szántai-Kis,Csaba;Krekó,Marcell;Czudor,Zsófia;Őrfi,László[BioorganicandMedicinalChemistryLetters,2018,vol.28,#19,p.3265-3270]

[3]Crossley;Pratt[JournaloftheChemicalSociety,1915,vol.107,p.174]

[4]Hueckel,W.;Thiele,K.[ChemischeBerichte,1961,vol.94,p.96-102]

[5]Tamura,Y.etal.[JournalofMedicinalChemistry,1977,vol.20,p.709-714]

[1]Frank;Hall[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1645,1646]

[2]Vig;Singh[JournaloftheIndianChemicalSociety,1958,vol.35,p.715]

Literature
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SDS
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Tags:18456-87-6 Molecular Formula|18456-87-6 MDL|18456-87-6 SMILES|18456-87-6 5-Isopropyl-1,3-cyclohexanedione