Bis (2-ethylhexyl) Azelate

CAT: 0024-sc-503649Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-503649Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

103-24-2

Chemical Information

Bis(2-ethylhexyl) azelate

CAS Number	103-24-2
PubChem CID	7642
IUPAC Name	bis(2-ethylhexyl) nonanedioate
Molecular Formula	C25H48O4
Molecular Weight	412.6
XLogP	8.5
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	22
Heavy Atom Count	29
Formal Charge	0
Complexity	358

SMILES

CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3

InChIKey

ZDWGXBPVPXVXMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 103-24-2

CID: 7642

Formula: C25H48O4

MW: 412.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.6
XLogP3	8.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	22
Exact Mass	412.35526001
Monoisotopic Mass	412.35526001
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	358
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-484889	Bis (2-ethylhexyl) Ether
sc-239351	Bis (2-ethylhexyl) phosphate
sc-239352	Bis (2-ethylhexyl) sebacate
sc-485267	Bis (2-ethylhexyl) fumarate
sc-487364	Bis (2-ethylhexyl) Itaconate
sc-252442	Bis (2-ethylhexyl) adipate
sc-487230	Bis (2-ethylhexyl) Maleate
sc-252442A	Bis (2-ethylhexyl) adipate
sc-474439	Bis (2-ethylhexyl) Suberate
sc-487673	Bis (2-ethylhexyl) Dodecanedioate