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Reference substances

Reference substances

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IUPAC name:
Reaction mass of 4-methylpentane-2,2-diyl dihydroperoxide and 4-methylpentan-2-one and peroxybis-4-methylpentane-2,2-diyl dihydroperoxide

Inventory

CAS number:
37206-20-5
Synonyms
Names:
Identifier:
CAS number
37206-20-5 Methylisobutylketone peroxide (MIBKP)
Identifier:
IUPAC name
Reaction mass of 4-methylpentane-2,2-diyl dihydroperoxide and 4-methylpentane-2-one and peroxybis-4-methylpentane-2,2-diyl dihydroperoxide
Identifier:
other: SMILES notation
CC(CC(C)C)(OO)OO OOC(C)(OOC(C)(CC(C)C)OO)CC(C)C CC(C)CC(=O)C
Identifier:
other: InChl
InChI=1/C6H14O4/c1-5(2)4-6(3,9-7)10-8/h5,7-8H,4H2,1-3H3 InChI=1/C12H26O6/c1-9(2)7-11(5,15-13)17-18-12(6,16-14)8-10(3)4/h9-10,13-14H,7-8H2,1-6H3 InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
Identifier:
other: Molecular formula
Reaction mass of C6H14O4 (150.173 ) and C12H26O6 (266.331 ) and C6H12O (100.159)
Reaction mass of 4-methylpentane-2,2-diyl dihydroperoxide, dioxybis-4-methylpentane-2,2-diyl dihydroperoxide and methylisobutylketon

Molecular and structural information

Molecular formula:
Reaction mass of C6H14O4 and C12H26O6 and C6H12O
Molecular weight:
100.159 - 266.331
SMILES notation:
Reaction mass of CC(CC(C)C)(OO)OO and OOC(C)(OOC(C)(CC(C)C)OO)CC(C)C and O=C(CC(C)C)C
InChl:
Reaction mass of InChI=1/C6H14O4/c1-5(2)4-6(3,9-7)10-8/h5,7-8H,4H2,1-3H3 and InChI=1/C12H26O6/c1-9(2)7-11(5,15-13)17-18-12(6,16-14)8-10(3)4/h9-10,13-14H,7-8H2,1-6H3 and InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
37206-20-5