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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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IUPAC name:
2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid

Inventory

EC number:
270-472-2
EC name:
Decanoic acid, mixed esters with octanoic acid and pentaerythritol
CAS number:
68441-68-9
CAS number:
68441-68-9
Synonyms
Names:
Identifier:
other:
PENTAERYTHRITYL TETRACAPRYLATE/TETRACAPRATE

Molecular and structural information

Molecular formula:
C23H48O8
Molecular weight:
452.629
SMILES notation:
CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C(C(CO)(CO)CO)O
InChl:
InChI=1S/C10H20O2.C8H16O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;6-1-5(2-7,3-8)4-9/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-9H,1-4H2
Structural formula:
Chemical structure

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