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Reference substances

Reference substances

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General information

Inventory

EC number:
266-124-4
EC name:
Isooctadecanoic acid, monoester with glycerol
CAS number:
66085-00-5

No inventory information available

Reference substance information

IUPAC name:
Isooctadecanoic acid, monoester with 1,2,3-propanetriol
Synonyms
Names:
GLYCERYL ISOSTEARATE
Glycerol monoisostearate
Isooctadecanoic acid, monoester with 1,2,3-propanetriol
Identifier:
IUPAC name
isooctadecanoic acid, monoester with 1,2,3 propanetriol
Identifier:
other: InChl
not available, substance is UVCB
Identifier:
other: SMILES notation
not available, substance is UVCB

CAS information

CAS number:
66085-00-5

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