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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
Reaction mass of 2,6-dimethylheptan-4-ol and 4,6-dimethylheptan-2-ol

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
108-82-7
Identifier:
CAS number
Identity:
51079-52-8

Molecular and structural information

Molecular formula:
C9H20O
Molecular weight:
144.255
SMILES notation:
2 constituents:
2,6-dimethylheptan-4-ol (main isomer): CC(C)CC(O)CC(C)C
4,6-dimethylheptan-2-ol (minor isomer): CC(CC(C)C)CC(C)O
InChl:
2 constituents:
2,6-dimethylheptan-4-ol (main isomer): InChI=1/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
4,6-dimethylheptan-2-ol (minor isomer): InChI=1/C9H20O/c1-7(2)5-8(3)6-9(4)10/h7-10H,5-6H2,1-4H3
Structural formula:
Chemical structure