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Reference substances

Reference substances

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General information

Inventory

EC number:
201-096-9
EC name:
3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate
CAS number:
78-23-9

No inventory information available

Reference substance information

IUPAC name:
3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate
Synonyms
Names:
Octadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Identifier:
IUPAC name
3-hydroxy-2,2-bis(hydroxymethyl)propyl octadecanoate
Identifier:
IUPAC name
3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate
Identifier:
IUPAC name
Fatty acid C18 pentaerythritol monoester
Identifier:
other: Molecular formula
C22H44O5

CAS information

CAS number:
78-23-9

Molecular and structural information

Molecular formula:
C23H46O5
Molecular weight:
402.61
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO
InChl:
InChI=1/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3
Structural formula:
Chemical structure