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Reference substances

Reference substances

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IUPAC name:
2,2-bis[(octanoyloxy)methyl]butyl octanoate (non-preferred name)

Inventory

EC number:
225-404-6
EC name:
2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate
CAS number:
4826-87-3
CAS number:
4826-87-3
Synonyms
Names:
Octanoic acid, 2-ethyl-2- (1-oxooctyl)oxy methyl -1,3-propanediyl ester
Octanoic acid, 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester

Molecular and structural information

Molecular formula:
C30H56O6
Molecular weight:
512.762
SMILES notation:
CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
InChl:
InChI=1/C30H56O6/c1-5-9-12-15-18-21-27(31)34-24-30(8-4,25-35-28(32)22-19-16-13-10-6-2)26-36-29(33)23-20-17-14-11-7-3/h5-26H2,1-4H3
Structural formula:
Chemical structure

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