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40291-39-2,MFCD00009179
Catalog No.:AA003QDI

40291-39-2 | Ethyl o-tolylacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$41.00   $29.00
- +
25g
98%
in stock  
$111.00   $78.00
- +
100g
97%
in stock  
$386.00 $270.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QDI
Chemical Name:
Ethyl o-tolylacetate
CAS Number:
40291-39-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00009179
SMILES:
CCOC(=O)Cc1ccccc1C
NSC Number:
78459
Properties
Properties
 
BP:
224.5 °C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.501(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1932,p.2520,2524

[1]Shim,SangChul;Antebi,Shlomo;Alper,Howard[JournalofOrganicChemistry,1985,vol.50,#1,p.147-149]

[1]Alper,Howard;Antebi,Shlomo;Woell,JamesB.[AngewandteChemie,1984,vol.96,#9,p.710-711]

[1]ChemicalCommunications,2001,p.669-670

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.5284-5288

[2]Organometallics,2011,vol.30,p.2855-2860

[3]AngewandteChemie-InternationalEdition,2016,vol.55,p.6530-6534    Angew.Chem.,2016,vol.128,p.6640-6644,5

[4]Organometallics,2017,vol.36,p.172-179

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:40291-39-2 Molecular Formula|40291-39-2 MDL|40291-39-2 SMILES|40291-39-2 Ethyl o-tolylacetate
Catalog No.: AA003QDI
40291-39-2,MFCD00009179
40291-39-2 | Ethyl o-tolylacetate
Pack Size： 1g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 5g
Purity： 98%
in stock
$41.00 $29.00
Pack Size： 25g
Purity： 98%
in stock
$111.00 $78.00
Pack Size： 100g
Purity： 97%
in stock
$386.00 $270.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QDI
Chemical Name: Ethyl o-tolylacetate
CAS Number: 40291-39-2
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
MDL Number: MFCD00009179
SMILES: CCOC(=O)Cc1ccccc1C
NSC Number: 78459
Properties
BP: 224.5 °C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.501(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 166  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
40291-39-2    19819-98-8 

[1]JournaloftheChemicalSociety,1932,p.2520,2524

64-17-5    201230-82-2    7341-24-4    40291-39-2 

[1]Shim,SangChul;Antebi,Shlomo;Alper,Howard[JournalofOrganicChemistry,1985,vol.50,#1,p.147-149]

201230-82-2    555-75-9    89-92-9    40291-39-2 

[1]Alper,Howard;Antebi,Shlomo;Woell,JamesB.[AngewandteChemie,1984,vol.96,#9,p.710-711]

105-36-2    195062-59-0    40291-39-2 

[1]ChemicalCommunications,2001,p.669-670

623-73-4    108-88-3    14062-19-2    40061-55-0    40291-39-2 

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.5284-5288

[2]Organometallics,2011,vol.30,p.2855-2860

[3]AngewandteChemie-InternationalEdition,2016,vol.55,p.6530-6534    Angew.Chem.,2016,vol.128,p.6640-6644,5

[4]Organometallics,2017,vol.36,p.172-179

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