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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
Waglinol 2/7680

Inventory

EC number:
271-516-3
EC name:
Decanoic acid, mixed diesters with octanoic acid and propylene glycol
CAS number:
68583-51-7
CAS number:
68583-51-7
Synonyms
Names:
Caprylic, capric acid, propylene glycol diester
Propylene glycol, caprylate caprate diester
Identifier:
IUPAC name
Decanoic acid, mixed diesters with octanoic acid and propylene glycol
Identifier:
IUPAC name
Decanoic acid, mixed diesters with octanoir acid and propylene glycol
Identifier:
IUPAC name
decanoic acid; octanoic acid; propane-1,2-diol
Identifier:
other: Propylene glycol, caprylate caprate diester
Identifier:
other: Propylene glycol dicaprylate/dicaprate
Identifier:
other: decanoic acid, octanoic acid, propane-1,2-diol
Identifier:
other: Caprylic, capric acid, propylene glycol diester
Identifier:
other: InChl
1S/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3
Identifier:
other: Molecular formula
C10-H20-O2.C8-H16-O2.C3-H8-O2
Identifier:
other: Molecular formula
C19-23H36-44O4
Identifier:
other: Molecular formula
C19H36O4 - C23H44O4
Identifier:
other: Molecular formula
C21H40O4
Identifier:
other: SMILES notation
CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC
Identifier:
other: InChl
InChI=1/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3/f/h11H;9H
Identifier:
other: Molecular formula
Not applicable as UVCB.
Identifier:
other: SMILES notation
Not applicable as UVCB.
Identifier:
other: InChl
Not applicable as UVCB.
Identifier:
other: Molecular formula
Not applicable, substance is a UVCB
Identifier:
other: SMILES notation
OC(CCCCCCCCC)=O.OC(CCCCCCC)=O.C([C@@H](C)O)O
Identifier:
other: SMILES notation
UVCB substance, not applicable
Identifier:
other: InChl
UVCB substance, not applicable
Identifier:
other: Molecular formula
UVCB substance. It is not possible to provide a unique molecular formula. propane-1,2-diyl dioctanoate: C19H36O4 propane-1,2-diyl bis(decanoate): C23H44O4
Identifier:
other: Molecular formula
UVCB substance: not applicable
Identifier:
other: Molecular formula
not applicable
Identifier:
other: SMILES notation
not applicable
Identifier:
other: InChl
not applicable

Molecular and structural information

Molecular formula:
C21H44O6
Molecular weight:
ca. 392.575
SMILES notation:
CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)O
InChl:
InChl=1/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3
Structural formula:
Chemical structure

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