H41544
4-Hydroxy-4-methyl-2-pentanone
99%
Synonym(s):
Diacetone alcohol
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About This Item
Linear Formula:
(CH3)2C(OH)CH2COCH3
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-626-7
Beilstein/REAXYS Number:
1740440
MDL number:
Assay:
99%
Form:
liquid
vapor density
4 (vs air)
Quality Level
vapor pressure
<1 mmHg ( 20 °C)
assay
99%
form
liquid
expl. lim.
6.9 %
refractive index
n20/D 1.423 (lit.)
bp
166 °C (lit.)
density
0.931 g/mL at 25 °C (lit.)
SMILES string
CC(=O)CC(C)(C)O
InChI
1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI key
SWXVUIWOUIDPGS-UHFFFAOYSA-N
General description
4-Hydroxy-4-methyl-2-pentanone is commonly used as a solvent in various industries, including paints, coatings, adhesives, and printing inks.
Application
4-Hydroxy-4-methyl-2-pentanone can be used to synthesize:
It can also be used as a complexing agent to synthesize double-metal cyanide (DMC) catalysts by reacting with metal salt (MX) and cyanometalate compounds.
- Diolmonoesters by reacting with aldehydes via tandem aldol-transfer–Tischtschenko reaction catalyzed by trimethylaluminum.
- Aldol-transfer products such as β-hydroxy ketones by reacting with various aldehydes in the presence of L-proline as a catalyst.
- Mono-α-arylated ketones and esters via Pd catalyzed reaction with aryl halides and aryl triflates, respectively.
It can also be used as a complexing agent to synthesize double-metal cyanide (DMC) catalysts by reacting with metal salt (MX) and cyanometalate compounds.
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Repr. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
136.4 °F - closed cup
flash_point_c
58 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Daniel Rios et al.
Inorganic chemistry, 51(23), 12768-12775 (2012-11-14)
Combined collision-induced dissociation mass spectrometry experiments with DFT and MP2 calculations were employed to elucidate the molecular structures and energetics of dissociation reactions of uranyl species containing acetone and diacetone alcohol ligands. It is shown that solutions containing diacetone alcohol
Synthesis of Polycarbonate Polyols by Double-Metal Cyanide Catalyzed Copolymerization of Epoxide with Carbon Dioxide
Lim J, et al.
Journal of Nanoscience and Nanotechnology, 17(10), 7507-7514 (2017)
L-Proline catalyzed asymmetric transfer aldol reaction between diacetone alcohol and aldehydes
Ramakrishna R, et al.
Chemical Communications (Cambridge, England), 42(21), 2450-2451 (2004)