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1709-70-2,MFCD00026284
Catalog No.:AA00HZFI

1709-70-2 | 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
97%
in stock  
$9.00   $7.00
- +
100g
97%
in stock  
$22.00   $15.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00HZFI
Chemical Name:
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CAS Number:
1709-70-2
Molecular Formula:
C54H78O3
Molecular Weight:
775.1953
MDL Number:
MFCD00026284
SMILES:
CC(c1cc(Cc2c(C)c(Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)c(c(c2C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C)cc(c1O)C(C)(C)C)(C)C
NSC Number:
85846
Properties
Properties
 
BP:
730°C at 760 mmHg  
Form:
Solid  
MP:
248-250 °C(lit.)  
Refractive Index:
1.5800 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
1030  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
12  
XLogP3:
17.7  

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:1709-70-2 Molecular Formula|1709-70-2 MDL|1709-70-2 SMILES|1709-70-2 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene