Home Other Building Blocks 1,3-Propanediol, 2-butyl-2-ethyl-

1,3-Propanediol, 2-butyl-2-ethyl-

CAS No.:
115-84-4
Catalog Number:
AG000FKE
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$75
- +
500g
>98.0%(GC)
1 week
United States
$216
- +
Product Description
Catalog Number:
AG000FKE
Chemical Name:
1,3-Propanediol, 2-butyl-2-ethyl-
CAS Number:
115-84-4
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
MDL Number:
MFCD00004697
IUPAC Name:
2-butyl-2-ethylpropane-1,3-diol
InChI:
InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChI Key:
DSKYSDCYIODJPC-UHFFFAOYSA-N
SMILES:
CCCCC(CO)(CO)CC
EC Number:
204-111-7
UNII:
61P3KJ8K4Y
NSC Number:
406603
Properties
Complexity:
87.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Characterization of polyesters prepared from three different phthalic acid isomers by CID-ESI-FT-ICR and PSD-MALDI-TOF mass spectrometry. Analytical chemistry 20020815
Properties