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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester

Inventory

EC number:
204-110-1
EC name:
Pentaerythritol tetrastearate
CAS number:
115-83-3
CAS number:
115-83-3
Synonyms
Names:
Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl) oxy]methyl]-1,3-propanediyl ester
Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
IUPAC name
3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate
Identifier:
IUPAC name
3-(stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propyl stearate (non-preferred name)
Identifier:
IUPAC name
Fatty acid C18/C18/C18/C18 pentaerythritol tetraester
Identifier:
IUPAC name
pentaerythritol tetrastearate
Identifier:
IUPAC name
pentaerythritol tetrastearate
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Identifier:
other: InChl
InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3

Molecular and structural information

Molecular formula:
C77H148O8
Molecular weight:
1 201
SMILES notation:
O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Structural formula:
Chemical structure

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