Home Other Building Blocks 5466-77-3
5466-77-3,MFCD00072582
Catalog No.:AA003H56

5466-77-3 | Octinoxate

Pack Size
Purity
Availability
Price(USD)
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10g
≥98%
in stock  
$48.00   $33.00
- +
25g
97%
in stock  
$52.00   $36.00
- +
100g
97%
in stock  
$67.00   $47.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003H56
Chemical Name:
Octinoxate
CAS Number:
5466-77-3
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
MDL Number:
MFCD00072582
SMILES:
CCCCC(COC(=O)C=Cc1ccc(cc1)OC)CC
NSC Number:
26466
Properties
Properties
 
BP:
405.251°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
1.543-1.547  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
304  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.3  

Downstream Synthesis Route

[1]Tour,JamesM.;Cooper,JoelP.;Pendalwar,ShekharL.[JournalofOrganicChemistry,1990,vol.55,#11,p.3452-3453]

[1]Littke;Fu[JournaloftheAmericanChemicalSociety,2001,vol.123,#29,p.6989-7000]

[2]Maji,Ankur;Singh,Ovender;Singh,Sain;Mohanty,Aurobinda;Maji,PradipK.;Ghosh,Kaushik[EuropeanJournalofInorganicChemistry,2020,vol.2020,#17,p.1596-1611]

[3]Reetz,ManfredT.;Lohmer,Gunther;Schwickardi,Renate[AngewandteChemie-InternationalEdition,1998,vol.37,#4,p.481-483]

[4]Locationinpatent:experimentalpartEvangelisti,Claudio;Panziera,Nicoletta;Pertici,Paolo;Vitulli,Giovanni;Salvadori,Piero;Battocchio,Chiara;Polzonetti,Giovanni[JournalofCatalysis,2009,vol.262,#2,p.287-293]

[5]CurrentPatentAssignee:EVONIKINDUSTRIESAG-US6392111,2002,B1Locationinpatent:Pagecolumn8

[1]Selvakumar,Kumaravel;Zapf,Alexander;Spannenberg,Anke;Beller,Matthias[Chemistry-AEuropeanJournal,2002,vol.8,#17,p.3901-3906]

[2]Brunner,Heiko;DeCourcy,NathalieLeCousturier;Genet,Jean-Pierre[TetrahedronLetters,1999,vol.40,#26,p.4815-4818]

[3]CurrentPatentAssignee:UMICORE-US2006/122398,2006,A1Locationinpatent:Page/Pagecolumn8

[4]CurrentPatentAssignee:SANOFI;EVONIKINDUSTRIESAG-US5360924,1994,A

[5]Brunner,Heiko;Vedder,Lennart[ChemCatChem,2019,vol.11,#2,p.698-702]

7145-99-5    5466-77-3   
2'-ethylhexyl3-(2-methyl-4,5-methylenedioxyphenyl)-3-(4-methoxyphenyl)propionate 

[1]Jia,Chengguo;Lu,Wenjun;Oyamada,Juzo;Kitamura,Tsugio;Matsuda,Kenji;Irie,Masahiro;Fujiwara,Yuzo[JournaloftheAmericanChemicalSociety,2000,vol.122,#30,p.7252-7263]

[2]Jia,Chengguo;Piao,Dongguo;Kitamura,Tsugio;Fujiwara,Yuzo[JournalofOrganicChemistry,2000,vol.65,#22,p.7516-7522]

[1]Ehrentraut;Zapf;Beller[Synlett,2000,#11,p.1589-1592]

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Tags:5466-77-3 Molecular Formula|5466-77-3 MDL|5466-77-3 SMILES|5466-77-3 Octinoxate |Organic_Building_Blocks