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Propylene glycol dicaprylate

CAS No.:
7384-98-7
Catalog Number:
AG0035J9
Molecular Formula:
C19H36O4
Molecular Weight:
328.4867
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Product Description
Catalog Number:
AG0035J9
Chemical Name:
Propylene glycol dicaprylate
CAS Number:
7384-98-7
Molecular Formula:
C19H36O4
Molecular Weight:
328.4867
MDL Number:
MFCD19705296
IUPAC Name:
2-octanoyloxypropyl octanoate
InChI:
InChI=1S/C19H36O4/c1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3
InChI Key:
OVYMWJFNQQOJBU-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C
EC Number:
230-962-9
FEMA Number:
4471
Properties
Complexity:
302  
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:
17  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  
Literature
Title Journal
Separation of glyceride positional isomers by silver ion chromatography. Journal of chromatography. A 20010720
Properties