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Reference substances

Reference substances

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General information

Inventory

EC number:
230-743-8
EC name:
2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)
CAS number:
7299-99-2

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Reference substance information

IUPAC name:
3-[(2-ethylhexanoyl)oxy]-2,2-bis({[(2-ethylhexanoyl)oxy]methyl})propyl 2-ethylhexanoate
Synonyms
Names:
Hexanoic acid, 2-ethyl-, 2,2-bis (2-ethyl-1-oxohexyl)oxy methyl -1,3-propanediyl ester
Hexanoic acid, 2-ethyl-, 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
CAS number
7299-99-2
Identifier:
IUPAC name
3-[(2-ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl 2-ethylhexanoate
3-[(2-ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl 2-ethylhexanoate (non-preferred name)

CAS information

CAS number:
7299-99-2

Molecular and structural information

Molecular formula:
C37H68O8
Molecular weight:
640.931
SMILES notation:
CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC
InChl:
InChI=1/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3
Structural formula:
Chemical structure