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Reference substances

Currently viewing:
IUPAC name:
2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate

Inventory

EC number:
246-665-2
EC name:
2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate
CAS number:
25151-96-6
CAS number:
25151-96-6
Synonyms
Names:
Identifier:
CAS number
25151-96-6
Identifier:
IUPAC name
2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate
Identifier:
IUPAC name
2,2-bis(hydroxymethyl)propane-1,3-diyl bisoctadec-9-enoate
Identifier:
other: Molecular formula
C41H76O6
Identifier:
other: SMILES notation
CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\\C=C/CCCCCCCC
Identifier:
other: InChl
InChI=1/C41H76O6/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/h17-20,42-43H,3-16,21-38H2,1-2H3
Identifier:
other: InChl
InChI=1S/C41H76O6/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/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+
Identifier:
other: SMILES notation
O=C(OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
Fatty acid C18 unsat ester with pentaerytritol

Molecular and structural information

Molecular formula:
C41H76O6
Molecular weight:
>= 665 - <= 929
SMILES notation:
O=C(OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
InChl:
InChI=1S/C41H76O6/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/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+
Structural formula:
Chemical structure

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