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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Glycerides, C16-18 di-

Inventory

EC number:
293-202-5
EC name:
Glycerides, C16-18 di-
CAS number:
91052-41-4
CAS number:
91052-41-4
Synonyms
Names:
Diglycerides
Diglycerides
Identifier:
IUPAC name
(3-hexadecanoyloxy-2-hydroxypropyl) octadecanoate
Identifier:
IUPAC name
Glycerides, C16-18 (even numbered) di-
Identifier:
IUPAC name
Glycerides, C16-18(even numbered) di-
Identifier:
other: InChl
1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3 + 1S/C18H36O2.C16H32O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);3-6H,1-2H2 + 1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
Identifier:
other: InChl
1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
Identifier:
other: SMILES notation
C(=O)(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)O + OC(CCCCCCCCCCCCCCCCC)=O.OC(CCCCCCCCCCCCCCC)=O.OCC(CO)O + CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
Identifier:
other: SMILES notation
C(C(O)COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Identifier:
other: Molecular formula
C35H68O5 + C37H70O5 + C39H76O5
Identifier:
other: Molecular formula
C35H68O5, C37H72O5, C39H76O5
Identifier:
other: Molecular formula
C35H70O5 C37H74O5 C39H78O5
Identifier:
other: Molecular formula
C37H72O5
Identifier:
other: Molecular formula
C39H76O5 for C18/C18 C37H71O5 for C18/C16 C35H68O5 for C16/C16
Identifier:
other: InChl
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
Identifier:
other: Molecular formula
Mixture of substances; no molecular and structural formul available.
Identifier:
other: SMILES notation
Mixture of substances; no molecular and structural formul available.
Identifier:
other: Molecular formula
Not applicable (UVCB substance)
Identifier:
other: SMILES notation
Not applicable: UVCB substance
Identifier:
other: InChl
Not applicable: UVCB substance
Identifier:
other: SMILES notation
Not available
Identifier:
other: Molecular formula
Not available.
Identifier:
other: Molecular formula
UVCB substance
Identifier:
other: SMILES notation
UVCB substance
Identifier:
other: InChl
UVCB substance
Identifier:
other: SMILES notation
n.a.
Identifier:
other: Molecular formula
no molecular and structural formula available. Not relevant for UVCB.
Identifier:
other: SMILES notation
no molecular and structural formula available. Not relevant for UVCB.

Molecular and structural information

Molecular formula:
C39H76O5 for C18/C18 C37H72O5 for C18/C16 C35H68O5 for C16/C16
Molecular weight:
>= 568 - <= 624
SMILES notation:
Not available for UVCB
InChl:
Not available for UVCB
Structural formula:
Chemical structure

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