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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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