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Reference substances

Reference substances

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General information

Inventory

EC number:
264-098-9
EC name:
2-ethylhexyl octanoate
CAS number:
63321-70-0

No inventory information available

Reference substance information

IUPAC name:
2-ethylhexyl octanoate
Synonyms
Names:
Identifier:
IUPAC name
octanoic acid, 2-ethylhexyl ester
Identifier:
other: InChl
InChI=1/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
Identifier:
other: InChl
InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3

CAS information

CAS number:
63321-70-0

Molecular and structural information

Molecular formula:
C16H32O2
Molecular weight:
256.424
SMILES notation:
CCCCCCCC(=O)OCC(CC)CCCC
InChl:
InChI=1/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
Structural formula:
Chemical structure