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504-53-0,MFCD00048491
Catalog No.:AA003DT3

504-53-0 | Pentatriacontan-18-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
85%
in stock  
$35.00   $25.00
- +
5g
85%
in stock  
$75.00   $53.00
- +
25g
85%
in stock  
$202.00 $142.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003DT3
Chemical Name:
Pentatriacontan-18-one
CAS Number:
504-53-0
Molecular Formula:
C35H70O
Molecular Weight:
506.9297
MDL Number:
MFCD00048491
SMILES:
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
NSC Number:
83612
Properties
Properties
 
BP:
542.5°C at 760 mmHg  
Form:
Solid  
MP:
86-87°C  
Refractive Index:
1.5017 (estimate)  
Solubility:
Soluble in benzene  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
365  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
32  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
16.8  

Downstream Synthesis Route

[1]ChemischeBerichte,1920,vol.53,p.1307

[1]Jaeger,DavidA.;Jamrozik,Janusz;Golich,TimothyG.;Clennan,MalgorzataWegrzyn;Mohebalian,Jamshid[JournaloftheAmericanChemicalSociety,1989,vol.111,#8,p.3001-3006]

[1]JournaloftheAmericanChemicalSociety,1937,vol.59,p.2010

[1]HelveticaChimicaActa,2013,vol.96,p.872-888

[2]Patent:US2019/175633,2019,A1.Locationinpatent:Paragraph0421

[1]Werz,Emma;Viere,Rebecca;Gassmann,Gina;Korneev,Sergei;Malecki,Edith;Rosemeyer,Helmut[HelveticaChimicaActa,2013,vol.96,#5,p.872-888]

[2]CurrentPatentAssignee:IONOVATION-EP2712869,2014,A1Locationinpatent:Paragraph0135

[3]CurrentPatentAssignee:IONOVATION-US2019/175633,2019,A1Locationinpatent:Paragraph0413

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:504-53-0 Molecular Formula|504-53-0 MDL|504-53-0 SMILES|504-53-0 Pentatriacontan-18-one
Catalog No.: AA003DT3
504-53-0,MFCD00048491
504-53-0 | Pentatriacontan-18-one
Pack Size： 1g
Purity： 85%
in stock
$35.00 $25.00
Pack Size： 5g
Purity： 85%
in stock
$75.00 $53.00
Pack Size： 25g
Purity： 85%
in stock
$202.00 $142.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003DT3
Chemical Name: Pentatriacontan-18-one
CAS Number: 504-53-0
Molecular Formula: C35H70O
Molecular Weight: 506.9297
MDL Number: MFCD00048491
SMILES: CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
NSC Number: 83612
Properties
BP: 542.5°C at 760 mmHg  
Form: Solid  
MP: 86-87°C  
Refractive Index: 1.5017 (estimate)  
Solubility: Soluble in benzene  
Storage: 2-8℃;  
Complexity: 365  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 32  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 16.8  
Downstream Synthesis Route
822-16-2    504-53-0 

[1]ChemischeBerichte,1920,vol.53,p.1307

4704-77-2    504-53-0    119296-54-7 

[1]Jaeger,DavidA.;Jamrozik,Janusz;Golich,TimothyG.;Clennan,MalgorzataWegrzyn;Mohebalian,Jamshid[JournaloftheAmericanChemicalSociety,1989,vol.111,#8,p.3001-3006]

111-61-5    504-53-0 

[1]JournaloftheAmericanChemicalSociety,1937,vol.59,p.2010

504-53-0    1463-10-1    1440632-50-7 

[1]HelveticaChimicaActa,2013,vol.96,p.872-888

[2]Patent:US2019/175633,2019,A1.Locationinpatent:Paragraph0421

504-53-0    58-96-8    1379994-57-6 

[1]Werz,Emma;Viere,Rebecca;Gassmann,Gina;Korneev,Sergei;Malecki,Edith;Rosemeyer,Helmut[HelveticaChimicaActa,2013,vol.96,#5,p.872-888]

[2]CurrentPatentAssignee:IONOVATION-EP2712869,2014,A1Locationinpatent:Paragraph0135

[3]CurrentPatentAssignee:IONOVATION-US2019/175633,2019,A1Locationinpatent:Paragraph0413

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