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16587-71-6,MFCD00013798
Catalog No.:AA001WB7

16587-71-6 | 4-tert-Amylcyclohexanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$27.00   $19.00
- +
25g
95%
in stock  
$43.00   $30.00
- +
100g
95%
in stock  
$91.00   $64.00
- +
500g
95%
in stock  
$297.00 $208.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001WB7
Chemical Name:
4-tert-Amylcyclohexanone
CAS Number:
16587-71-6
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD00013798
SMILES:
CCC(C1CCC(=O)CC1)(C)C
NSC Number:
21167
Properties
Properties
 
BP:
230.7°C at 760 mmHg  
Form:
Solid  
MP:
96°C  
Refractive Index:
1.469  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Banks;Hooker;Richard[JournalofOrganicChemistry,1956,vol.21,p.547,548]Hooker;Banks[UnitedStatesAtomicEnergyCommission,ISC-597<1955>13,15]

[1]CurrentPatentAssignee:DUPONTDENEMOURSINC-US2163284,1937,A

[2]Banks;Hooker;Richard[JournalofOrganicChemistry,1956,vol.21,p.547,548]

[1]Osselaer,T.A.Van;Lemiere,G.L.;Lepoivre,J.A.;Alderweireldt,F.C.[BulletindesSocietesChimiquesBelges,1980,vol.89,#2,p.133-150]

[1]JournalofgeneralchemistryoftheUSSR,1962,vol.32,p.1455-1460    ZhurnalObshcheiKhimii,1962,vol.32,p.1467-1473

16587-71-6    1099-45-2   
4-(1,1-dimethyl-propyl)-cyclohex-1-enyl-aceticacidethylester 
 
4-(1,1-dimethyl-propyl)-cyclohexylidene-aceticacidethylester 

[1]Wu,Jinlong;Wu,Huafeng;Wei,Shaoyong;Dai,Wei-Min[TetrahedronLetters,2004,vol.45,#22,p.4401-4404]

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:16587-71-6 Molecular Formula|16587-71-6 MDL|16587-71-6 SMILES|16587-71-6 4-tert-Amylcyclohexanone
Catalog No.: AA001WB7
16587-71-6,MFCD00013798
16587-71-6 | 4-tert-Amylcyclohexanone
Pack Size： 1g
Purity： 97%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 95%
in stock
$27.00 $19.00
Pack Size： 25g
Purity： 95%
in stock
$43.00 $30.00
Pack Size： 100g
Purity： 95%
in stock
$91.00 $64.00
Pack Size： 500g
Purity： 95%
in stock
$297.00 $208.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001WB7
Chemical Name: 4-tert-Amylcyclohexanone
CAS Number: 16587-71-6
Molecular Formula: C11H20O
Molecular Weight: 168.2759
MDL Number: MFCD00013798
SMILES: CCC(C1CCC(=O)CC1)(C)C
NSC Number: 21167
Properties
BP: 230.7°C at 760 mmHg  
Form: Solid  
MP: 96°C  
Refractive Index: 1.469  
Storage: Keep in dry area;Room Temperature;  
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
16587-71-6    104178-35-0 

[1]Banks;Hooker;Richard[JournalofOrganicChemistry,1956,vol.21,p.547,548]Hooker;Banks[UnitedStatesAtomicEnergyCommission,ISC-597<1955>13,15]

5349-51-9    16587-71-6 

[1]CurrentPatentAssignee:DUPONTDENEMOURSINC-US2163284,1937,A

[2]Banks;Hooker;Richard[JournalofOrganicChemistry,1956,vol.21,p.547,548]

16587-71-6    5349-51-9 

[1]Osselaer,T.A.Van;Lemiere,G.L.;Lepoivre,J.A.;Alderweireldt,F.C.[BulletindesSocietesChimiquesBelges,1980,vol.89,#2,p.133-150]

80-46-6    16587-71-6 

[1]JournalofgeneralchemistryoftheUSSR,1962,vol.32,p.1455-1460    ZhurnalObshcheiKhimii,1962,vol.32,p.1467-1473

16587-71-6    1099-45-2   
4-(1,1-dimethyl-propyl)-cyclohex-1-enyl-aceticacidethylester 
 
4-(1,1-dimethyl-propyl)-cyclohexylidene-aceticacidethylester 

[1]Wu,Jinlong;Wu,Huafeng;Wei,Shaoyong;Dai,Wei-Min[TetrahedronLetters,2004,vol.45,#22,p.4401-4404]

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