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1000-63-1
Catalog No.:AA00005P
Butane, 1-(1,1-dimethylethoxy)- | 1000-63-1
Pack Size
Purity
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Price(USD)
Quantity
  
100mg
95%
2 weeks  
$262.00
- +
250mg
95%
2 weeks  
$337.00
- +
1g
95%
2 weeks  
$617.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00005P
Chemical Name:
Butane, 1-(1,1-dimethylethoxy)-
CAS Number:
1000-63-1
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]butane
InChI:
InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3
InChI Key:
JJNQHLLBFBGKEL-UHFFFAOYSA-N
SMILES:
CCCCOC(C)(C)C
Properties
Computed Properties
 
Complexity:
61.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
1-Tert-butoxybutane 
1000-63-1 
Butane,1-(1,1-dimethylethoxy)- 
Butane, 1-(1,1-dimethylethoxy)- 
CID136788 
butyl t-butyl ether 
1-[(2-methylpropan-2-yl)oxy]butane 
tert-Butylbutyl ether 
SCHEMBL10516 
AC1L39A4 
CTK3J8481 
DTXSID00142853 
JJNQHLLBFBGKEL-UHFFFAOYSA-N 
Literature

Title: Biofuels from microbes.

Journal: Applied microbiology and biotechnology 20071101

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