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87-19-4,MFCD00020035
Catalog No.:AA003R04

87-19-4 | Isobutyl salicylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
>99.0%(GC)
in stock  
$19.00   $13.00
- +
100g
99%(HPLC)
in stock  
$64.00   $45.00
- +
500g
>99.0%(GC)
in stock  
$71.00   $50.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R04
Chemical Name:
Isobutyl salicylate
CAS Number:
87-19-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00020035
SMILES:
CC(COC(=O)c1ccccc1O)C
NSC Number:
62140
FEMA Number:
2213
Properties
Properties
 
BP:
261.0°C  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Maki,Toshikatsu;Ishihara,Kazuaki;Yamamoto,Hisashi[OrganicLetters,2005,vol.7,#22,p.5047-5050]Maki,Toshikatsu;Ishihara,Kazuaki;Yamamoto,Hisashi[Tetrahedron,2007,vol.63,#35,p.8645-8657]

[2]CurrentPatentAssignee:WUHANUNIVERSITY-CN105218360,2016,ALocationinpatent:Paragraph0052;0053

[3]Stohmann;Rodatz;Herzberg[JournalfurpraktischeChemie(Leipzig1954),1887,vol.<2>36,p.354]

[4]Croxall;Sowa;Nieuwland[JournalofOrganicChemistry,1937,vol.2,p.253,256]Sah;Ma[ScienceReportsofNationalTsingHuaUniversity,SeriesA:Mathematical,Physical,andEngineeringSciences,1932,vol.<A>1,p.201,202]

[5]Zhou,Qian;Wang,Ailian;Li,Huayi;Luo,Zhi;Zheng,Tao;Zhang,Liaoyun;Hu,Youliang[RSCAdvances,2016,vol.6,#79,p.75023-75031]

[1]Croxall;Sowa;Nieuwland[JournalofOrganicChemistry,1937,vol.2,p.253,256]

Literature

Title: Fragrance material review on isobutyl salicylate.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101

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SDS
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Tags:87-19-4 Molecular Formula|87-19-4 MDL|87-19-4 SMILES|87-19-4 Isobutyl salicylate
Catalog No.: AA003R04
87-19-4,MFCD00020035
87-19-4 | Isobutyl salicylate
Pack Size： 25g
Purity： >99.0%(GC)
in stock
$19.00 $13.00
Pack Size： 100g
Purity： 99%(HPLC)
in stock
$64.00 $45.00
Pack Size： 500g
Purity： >99.0%(GC)
in stock
$71.00 $50.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R04
Chemical Name: Isobutyl salicylate
CAS Number: 87-19-4
Molecular Formula: C11H14O3
Molecular Weight: 194.2271
MDL Number: MFCD00020035
SMILES: CC(COC(=O)c1ccccc1O)C
NSC Number: 62140
FEMA Number: 2213
Properties
BP: 261.0°C  
Storage: Room Temperature;Keep in dry area;  
Complexity: 189  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
78-83-1    69-72-7    87-19-4 

[1]Maki,Toshikatsu;Ishihara,Kazuaki;Yamamoto,Hisashi[OrganicLetters,2005,vol.7,#22,p.5047-5050]Maki,Toshikatsu;Ishihara,Kazuaki;Yamamoto,Hisashi[Tetrahedron,2007,vol.63,#35,p.8645-8657]

[2]CurrentPatentAssignee:WUHANUNIVERSITY-CN105218360,2016,ALocationinpatent:Paragraph0052;0053

[3]Stohmann;Rodatz;Herzberg[JournalfurpraktischeChemie(Leipzig1954),1887,vol.<2>36,p.354]

[4]Croxall;Sowa;Nieuwland[JournalofOrganicChemistry,1937,vol.2,p.253,256]Sah;Ma[ScienceReportsofNationalTsingHuaUniversity,SeriesA:Mathematical,Physical,andEngineeringSciences,1932,vol.<A>1,p.201,202]

[5]Zhou,Qian;Wang,Ailian;Li,Huayi;Luo,Zhi;Zheng,Tao;Zhang,Liaoyun;Hu,Youliang[RSCAdvances,2016,vol.6,#79,p.75023-75031]

87-19-4    7637-07-2    71-43-2    253185-04-5    16094-31-8    69-72-7 

[1]Croxall;Sowa;Nieuwland[JournalofOrganicChemistry,1937,vol.2,p.253,256]

Literature fold

Title: Fragrance material review on isobutyl salicylate.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20070101

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