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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

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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