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Reference substances

Reference substances

Currently viewing:
IUPAC name:
propane-1,2,3-triyl trioctanoate

Inventory

EC number:
208-686-5
EC name:
Glycerol trioctanoate
CAS number:
538-23-8
CAS number:
538-23-8
Synonyms
Names:
Octanoic acid, 1,2,3-propanetriyl ester
Identifier:
CAS number
124-07-2
Identifier:
EC name
Glycerol trioctanoate
Identifier:
IUPAC name
1,2,3-Propanetriyl trioctanoate
Identifier:
IUPAC name
1,3-bis(octanoyloxy)propan-2-yl octanoate
Identifier:
IUPAC name
2,3-di(octanoyloxy)propyl octanoate
Identifier:
common name
Glycerol tricaprylate
Identifier:
other: InChl
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
Identifier:
other: SMILES notation
O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC
Identifier:
other: Synonym
Octanoic acid, 1,2,3-propanetriyl ester

Molecular and structural information

Molecular formula:
C27H50O6
Molecular weight:
ca. 470.682
SMILES notation:
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChl:
InChI=1/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
Structural formula:
Chemical structure

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