Dibutyl sebacate

CAT: 0024-sc-214876ASize: 1 LDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-214876ASize:1 L

Selected

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

Quick Request Actions

CAS Number

109-43-3

Chemical Information

Dibutyl Sebacate

Dibutyl decanedioate is a fatty acid ester.

CAS Number	109-43-3
PubChem CID	7986
IUPAC Name	dibutyl decanedioate
Molecular Formula	C18H34O4
Molecular Weight	314.5
XLogP	5.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	17
Heavy Atom Count	22
Formal Charge	0
Complexity	248

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCCC

InChI

InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3

InChIKey

PYGXAGIECVVIOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-43-3

CID: 7986

Formula: C18H34O4

MW: 314.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.5
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	17
Exact Mass	314.24570956
Monoisotopic Mass	314.24570956
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1012833-01	Dibutyl sebacate
A17806-5000	Dibutyl sebacate 5g
HY-W013807R-01	Dibutyl sebacate (Standard)
A17806-10000	Dibutyl sebacate 10g
A17806-10mM-D	Dibutyl sebacate 10mM * 1mL in DMSO
21820011-1	Sebacate
T21160-01	Dibenzyl sebacate
T21236-01	Monomethyl sebacate
T31515-01	Dipentyl sebacate
T31506-01	Dioctyldodecyl sebacate