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Home Other Building Blocks 585-34-2
585-34-2,MFCD00002300
Catalog No.:AA003JTZ

585-34-2 | 3-tert-Butylphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$9.00   $7.00
- +
100g
98%
in stock  
$35.00   $25.00
- +
500g
95%
in stock  
$146.00   $102.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JTZ
Chemical Name:
3-tert-Butylphenol
CAS Number:
585-34-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00002300
SMILES:
Oc1cccc(c1)C(C)(C)C
Properties
Properties
 
BP:
125-130°C at 760 mmHg  
Form:
Solid  
MP:
44-46 °C(lit.);  
Refractive Index:
1.5108 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
123  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.3  

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: Data processing and classification analysis of proteomic changes: a case study of oil pollution in the mussel, Mytilus edulis.

Journal: Proteome science 20060101

Title: Simultaneous measurement of urinary bisphenol A and alkylphenols by automated solid-phase extractive derivatization gas chromatography/mass spectrometry.

Journal: Analytical chemistry 20031215

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Additional Info:
SDS
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Tags:585-34-2 Molecular Formula|585-34-2 MDL|585-34-2 SMILES|585-34-2 3-tert-Butylphenol |Organic_Building_Blocks