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Reference substances

Reference substances

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General information

Inventory

EC number:
202-319-2
EC name:
2,2'-ethylenedioxydiethyl bis(2-ethylhexanoate)
CAS number:
94-28-0

No inventory information available

Reference substance information

IUPAC name:
2-(2-{2-[(2-ethylhexanoyl)oxy]ethoxy}ethoxy)ethyl 2-ethylhexanoate
Synonyms
Names:
Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
triethyleneglycol bis(2-ethylhexanoate)
Identifier:
CAS number
94-28-0
Identifier:
EC number
202-319-2
Identifier:
IUPAC name
2-(2-{2-[(2-ethylhexanoyl)oxy]ethoxy}ethoxy)ethyl 2-ethylhexanoate
Identifier:
IUPAC name
2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
Identifier:
other: SMILES notation
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
Identifier:
other: InChl
InChI=1/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
Identifier:
other: SMILES notation
C([C@@H](CCCC)CC)(OCCOCCOCCOC([C@@H](CCCC)CC)=O)=O
ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-ethylhexanoate)

CAS information

CAS number:
94-28-0

Molecular and structural information

Molecular formula:
C22H42O6
Molecular weight:
402.565
SMILES notation:
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
InChl:
InChI=1/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
Structural formula:
Chemical structure