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20665-85-4,MFCD00169858
Catalog No.:AA002II8

20665-85-4 | Vanillin isobutyrate

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5g
98%
in stock  
$8.00   $6.00
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25g
98%
in stock  
$23.00   $16.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002II8
Chemical Name:
Vanillin isobutyrate
CAS Number:
20665-85-4
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00169858
SMILES:
COc1cc(C=O)ccc1OC(=O)C(C)C
FEMA Number:
3754
Properties
Properties
 
BP:
312.938°C at 760 mmHg  
Form:
Solid  
MP:
27.0 to 31.0℃  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Kozlov;Gusak;Tereshko;Dikusar[RussianJournalofOrganicChemistry,2004,vol.40,#5,p.705-710]

[2]Bohlmann,F.;Zdero,C.[ChemischeBerichte,1968,vol.101,p.3243-3254]

[3]Kozlov;Basalaeva[RussianJournalofGeneralChemistry,2005,vol.75,#4,p.617-621]

[4]Dikusar;Vyglazov;Moiseichuk;Zhukovskaya;Kozlov[RussianJournalofAppliedChemistry,2005,vol.78,#1,p.120-124]

[5]Kozlov;Basalaeva[ChemistryofHeterocyclicCompounds,2006,vol.42,#9,p.1223-1228]

[6]Manap;Gürsoy-Kol;Alkan;Yüksek[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2020,vol.59,#2,p.271-282]

580-15-4    20665-85-4    504-02-9   
isobutyricacid2-methoxy-4-(11-oxo-7,8,9,10,11,12-hexahydro-benzo<i>b</i>4,7phenanthrolin-12-yl)-phenylester 

[1]Kozlov;Gusak;Tereshko;Dikusar[RussianJournalofOrganicChemistry,2004,vol.40,#5,p.705-710]

580-15-4    20665-85-4    126-81-8   
isobutyricacid4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-benzo<i>b</i>4,7phenanthrolin-12-yl)-2-methoxy-phenylester 

[1]Kozlov;Gusak;Tereshko;Dikusar[RussianJournalofOrganicChemistry,2004,vol.40,#5,p.705-710]

20665-85-4    134-32-7   
2-methoxy-4-(1-naphthyliminomethyl)phenyl-2-methylpropanoate 

[1]Dikusar;Kozlov[RussianJournalofOrganicChemistry,2006,vol.42,#3,p.369-375]

20665-85-4    150-13-0   
4-isobutyryloxy-3-methoxyphenylmethylene(4-carboxyphenyl)amine 

[1]Dikusar;Kozlov;Zhukovskaya;Potkin;Ogorodnikova;Zelenkovskii[RussianJournalofOrganicChemistry,2006,vol.42,#2,p.206-213]

Literature
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