Diacetone alcohol

Diacetone alcohol is an organic compound with the formula CH3C(O)CH2C(OH)(CH3)2, sometimes called DAA. This colorless liquid is a common synthetic intermediate used for the preparation of other compounds, and is also used as a solvent.

Diacetone alcohol
Names
Preferred IUPAC name
4-Hydroxy-4-methylpentan-2-one
Other names
4-Hydroxy-4-methyl-2-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone alcohol
Identifiers
3D model (JSmol)
1740440
ChEBI
ChemSpider
ECHA InfoCard 100.004.207
EC Number
  • 204-626-7
PubChem CID
RTECS number
  • SA9100000
UNII
UN number 1148
  • InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 Y
    Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Y
  • InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
    Key: SWXVUIWOUIDPGS-UHFFFAOYAN
SMILES
  • CC(=O)CC(C)(C)O
Properties
C6H12O2
Molar mass 116.160 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 0.938 g/cm3
Melting point −47 °C (−53 °F; 226 K)
Boiling point 166 °C (331 °F; 439 K)
moderate
Solubility most organic solvents
Refractive index (nD)
 1.4235
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Flammable
GHS labelling:
Warning
H226, H319, H335
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, P501
Flash point 52 °C; 125 °F; 325 K
Explosive limits 1.8–6.9%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 4000 mg/kg (oral, rat)
4653 mg/kg (oral, rabbit)
3950 mg/kg (oral, mouse)
NIOSH (US health exposure limits):
PEL (Permissible)
 TWA 50 ppm (240 mg/m3)
Related compounds
Related compounds
 Acetone
methyl isobutyl ketone
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references
This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.