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620-79-1,MFCD08436113
Catalog No.:AA003Q0Q

620-79-1 | Ethyl 2-benzylacetoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$45.00   $32.00
- +
25g
95%
in stock  
$137.00   $96.00
- +
100g
95%
in stock  
$394.00   $276.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003Q0Q
Chemical Name:
Ethyl 2-benzylacetoacetate
CAS Number:
620-79-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD08436113
SMILES:
CCOC(=O)C(C(=O)C)Cc1ccccc1
NSC Number:
60581
FEMA Number:
2416
Properties
Properties
 
BP:
276°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.5(lit.)  
Solubility:
Difficult in mix.  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.5  

Literature

Title: Ethyl 4-acetamido-3-acet-oxy-2-benzyl-3-methyl-butano-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Triethyl-ammonium [2-eth-oxy-carbonyl-2-(2-methyl-benz-yl)-6,9-dinitro-3-oxo-bicyclo-[3.3.1]non-6-en-8-yl-idene]azinate.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

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SDS
Tags:620-79-1 Molecular Formula|620-79-1 MDL|620-79-1 SMILES|620-79-1 Ethyl 2-benzylacetoacetate