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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Docosanoic acid, ester with 1,2,3-propanetriol

Inventory

EC number:
278-717-5
EC name:
Docosanoic acid, ester with 1,2,3-propanetriol
CAS number:
77538-19-3
CAS number:
77538-19-3
Synonyms
Names:
1,2,3-Propanetriol docosanoate
Glyceryl behenate
glyceryl dibehenate
Identifier:
IUPAC name
2,3-dihydroxypropyl docosanoate
Identifier:
IUPAC name
77538-19-3
Identifier:
IUPAC name
Docosanoic acid, ester with 1,2,3-propanetriol / 77538-19-3
Identifier:
IUPAC name
n/a
Identifier:
other: Molecular formula
C25H50O4; C47H92O5; C69H134O6
Identifier:
other: Molecular formula
Not relevant for UVCB
Identifier:
other: SMILES notation
Not relevant for UVCB
Identifier:
other: InChl
Not relevant for UVCB
Identifier:
other: Molecular formula
The substance is an UVCB obtained by esterification of glycerol with mainly docosanoic acid under hight temperature.
Identifier:
other: Molecular formula
not applicable
Identifier:
other: SMILES notation
not applicable
Identifier:
other: InChl
not applicable
Identifier:
other: SMILES notation
not relevant for UVCB substance
Identifier:
other: InChl
not relevant for UVCB substance

Molecular and structural information

Molecular formula:
C25H50O4
Molecular weight:
>= 414 - <= 1 059
SMILES notation:
OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChl:
InChI=1S/2C25H50O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h2*24,26-27H,2-23H2,1H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
91052-55-0