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Diacetone Alcohol (CAS NO : 123-42-2)
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Chemical Properties & Specifications
Identifiers
Properties
Identifiers of Diacetone Alcohol
Canonical Smiles
CC(=O)CC(C)(C)O
Inchi Key
SWXVUIWOUIDPGS-UHFFFAOYSA-N
Inchi
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
CAS Number
123-42-2
Molecular Formula
C6H12O2
IUPAC
4-hydroxy-4-methylpentan-2-one
Properties of Diacetone Alcohol
melting_point
-45 °F (USCG, 1999)
boiling_point
328 °F at 760 mmHg (USCG, 1999)
solubility
Miscible (NIOSH, 2024)
density
0.938 at 68 °F (USCG, 1999) - Less dense than water; will float
logP
-0.14 - 1.03 (calculated)
Safety & Hazards of Diacetone Alcohol
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