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56519-71-2 | PROPYLENEGLYCOLDIOCTANOATE
CAS No: 56519-71-2 Catalog No: AG00EDJW MDL No:
Product Description
Catalog Number:
AG00EDJW
Chemical Name:
PROPYLENEGLYCOLDIOCTANOATE
CAS Number:
56519-71-2
IUPAC Name:
3-octanoyloxypropyl octanoate
InChI:
InChI=1S/C19H36O4/c1-3-5-7-9-11-14-18(20)22-16-13-17-23-19(21)15-12-10-8-6-4-2/h3-17H2,1-2H3
InChI Key:
XBBMJUWOCGWHRP-UHFFFAOYSA-N
EC Number:
700-003-3
UNII:
C577OMC6UH
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.493g/mol
Monoisotopic Mass:
328.261g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Crystallization and phase behavior of fatty acid esters of 1,3 propanediol III: 1,3 propanediol dicaprylate/1,3 propanediol distearate (CC/SS) and 1,3 propanediol dicaprylate/1,3 propanediol dipalmitate (CC/PP) binary systems. | Chemistry and physics of lipids 20080201 |
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