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General information

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Reference substance information

IUPAC name:
Reaction mass of 2,2,4-trimethylhexane-1,6-diol and 2,4,4-trimethylhexane-1,6-diol
Synonyms
Names:
2,2,4(or 2,4,4)-trimethylhexane-1,6-diol
TMH-diol
reaction mass of 2,4,4-trimethyl-1,6-hexanediol and 2,2,4-trimethyl-1,6-hexanediol
trimethyl-1,6-hexanediol
trimethylhexane-1,6-diol

CAS information

CAS number:
35255-57-3

Molecular and structural information

Molecular formula:
C9H20O2
Molecular weight:
160.254
SMILES notation:
2,2,4-isomer: OCC(C)(C)CC(C)CCO
2,4,4-isomer: OCC(C)CC(C)(C)CCO
InChl:
2,2,4-isomer: InChI=1S/C9H20O2/c1-8(4-5-10)6-9(2,3)7-11/h8,10-11H,4-7H2,1-3H3
2,4,4-isomer: InChI=1S/C9H20O2/c1-8(7-11)6-9(2,3)4-5-10/h8,10-11H,4-7H2,1-3H3
Structural formula:
Chemical structure