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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
propane-1,2-diyl dioctanoate

Inventory

EC number:
230-962-9
EC name:
Propylene di(octanoate)
CAS number:
7384-98-7
CAS number:
7384-98-7
Synonyms
Names:
Octanoic acid, 1-methyl-1,2-ethanediyl ester
Identifier:
IUPAC name
1,2-Propanediol dioctanoate
Identifier:
IUPAC name
1-(octanoyloxy)propan-2-yl octanoate
Identifier:
IUPAC name
Octanoic acid, diesters with Propane1,2 diol
Identifier:
IUPAC name
Propylenglycol dioctanoate
Identifier:
other: InChl
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
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
Not available as UVCB
Identifier:
other: InChl
Not available as UVCB
Identifier:
other: SMILES notation
O=C(OCC(OC(=O)CCCCCCC)C)CCCCCCC
Identifier:
other: SMILES notation
O=C(OC[C@@H](OC(=O)CCCCCCC)C)CCCCCCC

Molecular and structural information

Molecular formula:
C19H36O4
Molecular weight:
328.487
SMILES notation:
CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC
InChl:
InChI=1/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
Structural formula:
Chemical structure

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