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Bis(2-ethylhexyl) suberate

Catalog Number
ACM5238222-3
CAS Number
5238-22-2
Product Name
Bis(2-ethylhexyl) suberate
Structure
Category
Plastic Additives
Synonyms
Suberic acid di(2-ethylhexyl) ester
IUPAC Name
Bis(2-ethylhexyl) octanedioate
Molecular Weight
398.6
Molecular Formula
C24H46O4
Canonical SMILES
CCCCC(CC)COC(=O)CCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H46O4/c1-5-9-15-21(7-3)19-27-23(25)17-13-11-12-14-18-24(26)28-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3
InChI Key
FTALILOVQKMLBH-UHFFFAOYSA-N
Flash Point
180 °C
Purity
98%+
Density
0.92 g/mL
Complexity
345
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
610-832-1
Exact Mass
398.33960994
Formal Charge
0
Heavy Atom Count
28
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
398.33960994
Rotatable Bond Count
21
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
2
Undefined Bond Stereocenter Count
0
XLogP3
7.9
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