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Reference substances

Reference substances

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General information

Inventory

EC number:
221-123-8
EC name:
2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate
CAS number:
3008-50-2

No inventory information available

Reference substance information

IUPAC name:
3-(octanoyloxy)-2,2-bis[(octanoyloxy)methyl]propyl octanoate (non-preferred name)
Synonyms
Names:
Octanoic acid, 2,2-bis (1-oxooctyl)oxy methyl -1,3-propanediyl ester
Octanoic acid, 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester

CAS information

CAS number:
3008-50-2

Molecular and structural information

Molecular formula:
C37H68O8
Molecular weight:
640.931
SMILES notation:
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
InChl:
InChI=1/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3
Structural formula:
Chemical structure