Diacetone alcohol
CAS Registry Number®
123-42-2
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CAS Name
Diacetone alcoholMolecular Formula
C6H12O2Molecular Mass
116.16Cite this Page
Diacetone alcohol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123-42-2 (retrieved ) (CAS RN: 123-42-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
22.0 °C @ Press: 1.0 TorrMelting Point (1)
-44 °CDensity (2)
0.9382 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Lantz, V.; Journal of the American Chemical Society, (1940), 62, 3260, CAplus
Other Names and Identifiers
InChI
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey
InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N
SMILES
C(C(C)(C)O)C(C)=O
Canonical SMILES
O=C(C)CC(O)(C)C
Other Names for this Substance
- 2-Pentanone, 4-hydroxy-4-methyl-
- 4-Hydroxy-4-methyl-2-pentanone
- Diacetone alcohol
- Diketone alcohol
- 4-Hydroxy-2-keto-4-methylpentane
