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
Beilstein:
1740440
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Repr. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
136.4 °F - closed cup
Flash Point(C)
58 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Tandem aldol-transfer-Tischtschenko reaction of aldehydes and ?-hydroxyketones catalyzed by trimethylaluminum
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Tetrahedron Letters, 42(23), 3905-3907 (2001)
S Chandrasekhar et al.
Chemical communications (Cambridge, England), (21)(21), 2450-2451 (2004-10-30)
We demonstrate for the first time, L-proline as a chiral catalyst for transfer aldol reaction between aldehydes and diacetone alcohol.
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