Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
235-991-0
EC name:
2,2-bis(hydroxymethyl)propane-1,3-diyl distearate
CAS number:
13081-97-5

No inventory information available

Reference substance information

IUPAC name:
2,2-bis(hydroxymethyl)propane-1,3-diyl distearate
Synonyms
Names:
Octadecanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
Identifier:
IUPAC name
2,2-bis(hydroxymethyl)propane-1,3-diyl dioctadecanoate
Identifier:
IUPAC name
2,2-bis(hydroxymethyl)propane-1,3-diyl distearate
Identifier:
IUPAC name
3-hydroxy-2-(hydroxymethyl)-2-[(octadecanoyloxy)methyl]propyl octadecanoate
Identifier:
IUPAC name
Fatty acid C18/C18 pentaerythritol diester

CAS information

CAS number:
13081-97-5

Molecular and structural information

Molecular formula:
C41H80O6
Molecular weight:
669.07
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC
InChl:
InChI=1/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3
Structural formula:
Chemical structure