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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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:
3-[(3-methylnonadecanoyl)oxy]-2,2-bis({[(3-methylnonadecanoyl)oxy]methyl})propyl 3-methylnonadecanoate

Inventory

EC number:
263-423-1
EC name:
2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate)
CAS number:
62125-22-8
CAS number:
62125-22-8
Synonyms
Names:
Identifier:
IUPAC name
1201.994
Identifier:
IUPAC name
2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate
Identifier:
IUPAC name
2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate)
Identifier:
IUPAC name
3-[(3-methylnonadecanoyl)oxy]-2,2-bis(([(3-methylnonadecanoyl)oxy]methyl))propyl 3-methylnonadecanoate
Identifier:
IUPAC name
3-[(3-methylnonadecanoyl)oxy]-2,2-bis({[(3-methylnonadecanoyl)oxy]methyl})propyl 3-methylnonadecanoate
Identifier:
IUPAC name
3-[(3-methylnonadecanoyl)oxy]-2,2-bis({[(3-methylnonadecanoyl)oxy]methyl})propyl 3-methylnonadecanoate
Identifier:
IUPAC name
62125-22-8
Identifier:
IUPAC name
Isooctadecanoic acid, tetraesters with pentaerythritol
Identifier:
IUPAC name
[3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] 16-methylheptadecanoate
Identifier:
INCI name
PENTAERYTHRITYL TETRAISOSTEARATE
Identifier:
INCI name
Pentaerythrityl tetraisostearate
Identifier:
other: Molecular formula
not available UVCB
Identifier:
other: SMILES notation
not available UVCB
Identifier:
other: InChl
not available UVCB
Identifier:
other: InChl
1/C85H164O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77(5)69-81(86)90-73-85(74-91-82(87)70-78(6)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,75-92-83(88)71-79(7)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)76-93-84(89)72-80(8)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h77-80H,9-76H2,1-8H3
Identifier:
other: InChl
1S/C77H148O8/c1-69(2)57-49-41-33-25-17-9-13-21-29-37-45-53-61-73(78)82-65-77(66-83-74(79)62-54-46-38-30-22-14-10-18-26-34-42-50-58-70(3)4,67-84-75(80)63-55-47-39-31-23-15-11-19-27-35-43-51-59-71(5)6)68-85-76(81)64-56-48-40-32-24-16-12-20-28-36-44-52-60-72(7)8/h69-72H,9-68H2,1-8H3
Identifier:
other: Molecular formula
C77H148O8
Identifier:
other: SMILES notation
CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
Identifier:
other: SMILES notation
CC(C)CCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCC(C)C)=O)(COC(CCCCCCCCCCCCCCC(C)C)=O)COC(CCCCCCCCCCCCCCC(C)C)=O)=O
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCC(C)CC(=O)OCC(COC(=O)CC(C)CCCCCCCCCCCCCCCC)(COC(=O)CC(C)CCCCCCCCCCCCCCCC)COC(=O)CC(C)CCCCCCCCCCCCCCCC
Identifier:
other: InChl
InChI=1S/C77H148O8/c1-69(2)57-49-41-33-25-17-9-13-21-29-37-45-53-61-73(78)82-65-77(66-83-74(79)62-54-46-38-30-22-14-10-18-26-34-42-50-58-70(3)4,67-84-75(80)63-55-47-39-31-23-15-11-19-27-35-43-51-59-71(5)6)68-85-76(81)64-56-48-40-32-24-16-12-20-28-36-44-52-60-72(7)8/h69-72H,9-68H2,1-8H3
Identifier:
other: SMILES notation
O=C(CCCCCCCCCCCCCCC(C)C)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
Identifier:
other: Molecular formula
UVCB
Identifier:
other: Molecular formula
UVCB substance
Identifier:
other: SMILES notation
UVCB substance
Identifier:
other: SMILES notation
non applicable (UVCB)
Identifier:
other: InChl
non applicable (UVCB)
Identifier:
other: SMILES notation
not applicable
Identifier:
other: InChl
not applicable
Identifier:
other: Molecular formula
not applicable, UVCB
Identifier:
other: SMILES notation
not applicable, UVCB
Identifier:
other: InChl
not applicable, UVCB
Identifier:
other: Molecular formula
substance is UVCB
Identifier:
other: SMILES notation
substance is UVCB
Identifier:
other: InChl
substance is UVCB
Fatty acids C16 – 18 ( even numbered), C18 branched tetra esters with pentaerythritol

Molecular and structural information

Molecular formula:
not available UVCB
Molecular weight:
>= 852 - <= 1 202
SMILES notation:
not available UVCB
InChl:
UVCB substance
Structural formula:
Chemical structure

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