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Reference substances

Reference substances

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General information

Inventory

EC number:
221-110-7
EC name:
tert-butyl 2-ethylperoxyhexanoate
CAS number:
3006-82-4

No inventory information available

Reference substance information

IUPAC name:
tert-butyl 2-ethylhexaneperoxoate
Synonyms
Names:
Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
Identifier:
CAS number
3006-82-4
Identifier:
other: SMILES notation
CCCCC(CC)C(=O)OOC(C)(C)C
Identifier:
other: SMILES notation
CCCCC(CC)​C(=O)​OOC(C)​(C)​C
Identifier:
other: InChl
InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
Identifier:
other: InChl
InChI=1S/​C12H24O3/​c1-​6-​8-​9-​10(7-​2)11(13)14-​15-​12(3,​4)5/​h10H,​6-​9H2,​1-​5H3
tert-butyl 2-ethylhexaneperoxoate

CAS information

CAS number:
3006-82-4

Molecular and structural information

Molecular formula:
C12H24O3
Molecular weight:
216.317
SMILES notation:
CC(C)(C)OOC(=O)C(CCCC)CC
InChl:
InChI=1/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
Structural formula:
Chemical structure