Diacetone Alcohol CAS 123-42-2

123-42-2 – Names and IdentifiersName4-Hydroxy-4-methyl-2-pentanoneSynonymsTyrantonDiacetoneDike

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123-42-2 – Names and Identifiers

Name	4-Hydroxy-4-methyl-2-pentanone
Synonyms	Tyranton Diacetone Diketone Alcohol Diacetone alcohol Diaectone alcohol TIMTEC-BB SBB009084 (CH3)2C(OH)CH2C(O)CH3 Acetonyldimethylcarbinol 2-methyl-2-pentanol-4-one 2-Methylpentan-2-ol-4-one 2-Methyl-3-pentanol-4-one 4-hydroxy-4-methylpentan-2-one 4-Hydroxy-4-methyl-2-pentanone 4-Methyl-4-Hydroxy-2-pentanone 2-Hydroxy-2-methyl-4-pentanone 2-Pentanone, 4-hydroxy-4-methyl- 4-Hydroxy-2-keto-4-methylpentane Diacetone Alcohol 〔4-Hydroxy-4-methyl-2-pentanone〕
CAS	123-42-2
EINECS	204-626-7
InChI	InChI:1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

123-42-2 – Physico-chemical Properties

Molecular Formula	C6H12O2
Molarmassa	116.16
Täthet	0.938 g/mL at 20 °C
Melting Point	-42.8 °C
Boling Point	166°C(lit.)
Blixtpunkt	132°F
Vattenlöslighet	MISCIBLE
Solubility	Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such asacetone and 2-butanone.
Vapor Presure	<1 mm Hg ( 20 °C)
Vapor Density	4 (vs air)
Utseende	Liquid
Färg	Clear colorless
Odor	Mild, pleasant.
Exponeringsgräns	TLV-TWA 240 mg/m3 (50 ppm) (ACGIH);IDLH 2100 ppm (NIOSH).
Maximum wavelength(λmax)	[‘249nm(lit.)’]
Merck	14,2964
BRN	1740440
pKa	14.57±0.29(Predicted)
Lagringstillstånd	Store below +30°C.
Stability	Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
Explosive Limit	1.8-6.9%(V)
Refractive Index	n20/D 1.423(lit.)
Physical and Chemical Properties	Colorless flammable liquid with pleasant odor. melting point -44 ℃ boiling point 164 ℃ relative density 0.9387 refractive index 1.4213 flash point 12.7 ℃ , halogenated hydrocarbons, ethers and water miscible.
Use	Used as high boiling point solvent, paint thinner, Wood colorant, rust remover and dye raw materials

123-42-2 – Risk and Safety

Hazard Symbols	Xi – Irritant
Risk Codes	R36 – Irritating to the eyes
Safety Description	S24/25 – Avoid contact with skin and eyes.
UN IDs	UN 1148 3/PG 3
WGK Germany	1
RTECS	SA9100000
FLUKA BRAND F CODES	9
TSCA	Yes
HS Code	2914 40 10
Hazard Class	3
Packing Group	III
Toxicity	LD50 orally in rats: 4.0 g/kg (Smyth)

123-42-2 – Upstream Downstream Industry

Raw Materials

Phthalic anhydride
Acetone

Downstream Products

Mesityl oxide, mixture of alpha- and beta-isomers

123-42-2 – Reference Information

Concentration	0.1 mCi/ml
Specific Activity	25-50 mCi/mmol
Solvent	Ethanol
LogP	-0.09 at 20℃
Use	diacetone alcohol is one of the important derivatives of acetone, used in the preparation of metal detergents, wood preservatives, hydraulic oil solvents; diacetone alcohol can be used for the preparation of methyl isobutyl ketone, methyl isobutyl methanol, hexenediol, phenyl oxygen, isophorone and other intermediates; Diacetone alcohol can be used as paint, celluloid, nitrocellulose, fat, oil, wax, dyes and resin solvents; Diacetone alcohol can be used as photographic film preservatives, antifreeze, extractants, pharmaceutical intermediates, special comonomers, organic synthesis of raw materials. diacetone alcohol is an intermediate in the process of preparing isopropylidene acetone, methyl isobutyl ketone, methyl isobutyl methanol, hexylene glycol, chlorone and isophorone from acetone. Diacetone alcohol can be used to prepare metal detergents, wood preservatives, photographic film and drug preservatives, antifreeze, hydraulic oil solvents, extractants and fiber finishing agents. Diacetone alcohol is widely used as a solvent for electrostatic paint, celluloid, nitrocellulose, fats, oils, waxes and resins. used as raw materials of high boiling point solvent, paint thinner, Wood colorant, rust remover and dye, etc. used as raw materials of dye and resin solution cellulose acetate and esterified cellulose, A solvent for celluloid and the like. Biochemical studies. Electrophoretic analysis. Wood preservatives.
preparation	1) preparation of catalyst metal aluminum plate (thickness 0.1, purity 99.0%) in order to remove the natural oxide layer on the surface of metal aluminum, the natural oxide layer was immersed in 20% NaOH solution for 3min, and then immersed in 30% HNO3 solution for 1min. After the treatment, the aluminum plate was used as the anode, the lead plate was used as the cathode, the mass fraction of oxalic acid was 4% as the electrolyte, the current density was 1.5A/dm2, the temperature was 20, after anodizing for Al2O3-Al H, the first carrier was made into the form of a Rasch ring filler with a diameter of about 3mm, and water-sealed in a water bath at 80 ° C. For H, the carrier was prepared by calcination at 350 °c for 1H. The catalyst carrier is immersed in a certain concentration of Mg(NO3)2 solution, stirred at a certain temperature for a certain time, drying in an oven at 125 C for more than 8H. The MgO/Al2O3-Al solid base catalyst was prepared by calcining at a certain temperature for a certain time. 2) acetone condensation reaction The condensation reaction was carried out in a 250ml three-necked flask, the reaction temperature was controlled with a contact thermometer, and heated and stirred with a SZCL type digital display temperature control magnetic stirrer. The catalytic reaction was carried out under boiling condition, adding GC-14C ml of raw material acetone, 2g of catalyst, without adding water-carrying agent, and the reaction time was 1H. The product was analyzed by gas chromatograph, The activity of the catalyst was expressed in terms of acetone conversion. The results showed that the optimum preparation conditions were as follows: impregnation concentration 2.0%, impregnation temperature 55 ℃, impregnation time 2.0h, calcination temperature 550 ℃ and calcination Time 4.0h. Under these conditions, the conversion of acetone was 21.08% and the selectivity of diacetone alcohol was 100%.
production method	is obtained by condensation of acetone under alkaline conditions. 1250kg of acetone was consumed per ton of product.
category	flammable liquid
toxicity grade	poisoning
Acute toxicity	oral-rat LD50: 4000 mg/kg; Oral-mouse LD50: 3950 mg/kg
stimulation data	Skin-rabbit 500 mg mild; Eye-rabbit 20 mg severe
explosive hazard characteristics	explosive when mixed with air
flammability hazard characteristics	flammable in open flame, high temperature, strong oxidant; combustion emissions
storage and transportation characteristics	The package is complete, light and light unloading; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant
fire extinguishing agent	foam, dry powder, carbon dioxide, sand
Occupational Standard	TLV-TWA 50 PPM (240 mg/m3); Tel 75 PPM (360 mg/m3)
spontaneous combustion temperature	640°C
immediate life-and health-threatening concentrations	1,800 ppm [10% LEL]

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