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40601-76-1,MFCD01026105
Catalog No.:AA00I7W1

40601-76-1 | Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$7.00   $5.00
- +
10g
97%
in stock  
$11.00   $8.00
- +
25g
97%
in stock  
$24.00   $17.00
- +
100g
95%
in stock  
$47.00   $33.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00I7W1
Chemical Name:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
CAS Number:
40601-76-1
Molecular Formula:
C42H57N3O6
Molecular Weight:
699.9185
MDL Number:
MFCD01026105
SMILES:
Cc1cc(c(c(c1Cn1c(=O)n(Cc2c(C)cc(c(c2C)O)C(C)(C)C)c(=O)n(c1=O)Cc1c(C)cc(c(c1C)O)C(C)(C)C)C)O)C(C)(C)C
Properties
Properties
 
BP:
793.8°C at 760 mmHg  
Form:
Solid  
MP:
163-165 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
1090  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
9  
XLogP3:
10  

Literature

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.

Journal: Environmental health perspectives 20010201

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SDS
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Tags:40601-76-1 Molecular Formula|40601-76-1 MDL|40601-76-1 SMILES|40601-76-1 Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate