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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
266-124-4
EC name:
Isooctadecanoic acid, monoester with glycerol
CAS number:
66085-00-5
CAS number:
66085-00-5
Synonyms
Names:
GLYCERYL ISOSTEARATE
Glycerol monoisostearate
Isooctadecanoic acid, monoester with 1,2,3-propanetriol
Identifier:
IUPAC name
1,3-Dihydroxy-2-propanyl 16-methylheptadecanoate
Identifier:
IUPAC name
isooctadecanoic acid, monoester with 1,2,3 propanetriol
Identifier:
other: InChl
InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3
Identifier:
other: SMILES notation
O=C(OC(CO)CO)CCCCCCCCCCCCCCC(C)C
Identifier:
other: InChl
not available, substance is UVCB
Identifier:
other: SMILES notation
not available, substance is UVCB

Molecular and structural information

Molecular formula:
C21H42O4
Molecular weight:
ca. 358
SMILES notation:
CC(C)CCCCCCCCCCCCCCC(OCC(O)CO)=O
and
CC(C)CCCCCCCCCCCCCCC(OC(CO)CO)=O
InChl:
InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3
and
InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3
Structural formula:
Chemical structure

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