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Diacetone Alcohol

Application
Product Name
Diacetone Alcohol
CAS No.
123-42-2
Chemical Name
Diacetone Alcohol
Synonyms
2-Pentanone, 4-hydroxy-4-methyl-;DAA;4-HYDROXY-4-METHYL-2-PENTANONE;Diacetone;4-HYDROXY-4-METHYLPENTAN-2-ONE;Tyranton;Diketone alcohol;Acetonyldimethylcarbinol;Pyranton a;Diacetone alcoho
CBNumber
CB9783177
Molecular Formula
C6H12O2
Formula Weight
116.16
MOL File
123-42-2.mol
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Diacetone Alcohol Property

Melting point:
-42.8 °C
Boiling point:
166 °C(lit.)
Density 
0.938 g/mL at 20 °C
vapor density 
4 (vs air)
vapor pressure 
<1 mm Hg ( 20 °C)
refractive index 
n20/D 1.423(lit.)
Flash point:
132 °F
storage temp. 
Store below +30°C.
solubility 
Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such as acetone and 2-butanone.
pka
14.57±0.29(Predicted)
form 
Liquid
color 
Clear colorless
Odor
Mild, pleasant.
explosive limit
1.8-6.9%(V)
Water Solubility 
MISCIBLE
λmax
249nm(lit.)
Merck 
14,2964
BRN 
1740440
Specific Activity
25-50 mCi/mmol
Solvent
Ethanol
Concentration
0.1 mCi/ml
Exposure limits
TLV-TWA 240 mg/m3 (50 ppm) (ACGIH); IDLH 2100 ppm (NIOSH).
Dielectric constant
18.2（Ambient）
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
LogP
-0.09 at 20℃
CAS DataBase Reference
123-42-2(CAS DataBase Reference)
NIST Chemistry Reference
4-Hydroxy-4-methylpentan-2-one(123-42-2)
EPA Substance Registry System
4-Hydroxy-4-methyl-2-pentanone (123-42-2)
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Safety

Hazard Codes 
Xi
Risk Statements 
36-R36
Safety Statements 
24/25-S24/25
OEB
A
OEL
TWA: 50 ppm (240 mg/m3)
RIDADR 
UN 1148 3/PG 3
WGK Germany 
1
RTECS 
SA9100000
F 
9
Autoignition Temperature
640 °C
TSCA 
Yes
HS Code 
2914 40 10
HazardClass 
3
PackingGroup 
III
Hazardous Substances Data
123-42-2(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 4.0 g/kg (Smyth)
IDLA
1,800 ppm [10% LEL]
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P202Do not handle until all safety precautions have been read and understood.

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P308+P313IF exposed or concerned: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.04512
Product name
4-Hydroxy-4-methyl-2-pentanone
Purity
for synthesis
Packaging
100mL
Price
$43.4
Updated
2024/03/01
Sigma-Aldrich
Product number
8.04512
Product name
4-Hydroxy-4-methyl-2-pentanone
Purity
for synthesis
Packaging
1L
Price
$55.1
Updated
2024/03/01
Sigma-Aldrich
Product number
8.04512
Product name
4-Hydroxy-4-methyl-2-pentanone
Purity
for synthesis
Packaging
25L
Price
$74.1
Updated
2024/03/01
Sigma-Aldrich
Product number
78891
Product name
4-Hydroxy-4-methyl-2-pentanone
Purity
analytical standard
Packaging
5ml
Price
$320
Updated
2024/03/01
Sigma-Aldrich
Product number
78891
Product name
4-Hydroxy-4-methyl-2-pentanone
Purity
analytical standard
Packaging
1ml
Price
$69
Updated
2022/05/15
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Diacetone Alcohol Chemical Properties,Usage,Production

Application

Diacetone alcohol is available in two grades: a commercial grade containing 15% acetone and an acetone-free grade. Both solvent grades of diacetone alcohol may acquire a yellow color on aging; both are good solvents for nitrocellulose, cellulose esters, and several other types of resins. The much slower evaporating diacetone alcohol is similar to acetone in its solvency. It is used in brushing-type cellulose ester lacquers to produce hard and brilliant gloss films. Diacetone alcohol is also used as lacquer thinner and in coating compositions for paper and textiles. Mesityl oxide, the unsaturated medium boiling point ketone that is prepared by the dehydration of diacetone alcohol, will darken and form a solid residue on aging.

Description

Diacetone alcohol is a colorless liquid with amild, minty odor. Odor threshold = 0.28 ppm. Molecularweight = 116.16; Specific gravity (H2O:1) = 0.94; Boilingpoint = 168℃; Freezing/Melting point = - 43.8℃; Vaporpressure = 1 mmHg at 20℃; Flash point = 64℃; 58℃(acetone free); 64℃ (commercial grade). Explosive limits:LEL = 1.8%; UEL = 6.9%. Hazard Identification (based onNFPA-704 M Rating System): Health 1, Flammability 2,Reactivity 0. Soluble in water.

Chemical Properties

colourless liquid

Chemical Properties

Diacetone alcohol is a colorless liquid. Mild, mint odor.

Physical properties

Clear, watery, flammable liquid with a mild, pleasant, characteristic odor similar to 2-butanone or the pentanones. Experimentally determined detection and recognition odor threshold concentrations were 1.3 mg/m3 (270 ppbv) and 5.2 mg/m3 (1.1 ppmv), respectively (Hellman and Small, 1974).

Uses

4-Hydroxy-4-methyl-2-pentanone is used asa solvent for nitrocellulose, cellulose acetate,resins, fats, oils, and waxes; and in hydraulicfluids and antifreeze solutions..

Uses

Solvent for pigments, cellulose, resins, oils, fats, and hydrocarbons; hydraulic brake fluid; antifreeze

Uses

Solvent for cellulose acetate, nitrocellulose, celluloid, fats, oils, waxes, resins. As a preservative in pharmaceutical preparations. In some antifreeze solutions and in hydraulic fluids.

Production Methods

4-Hydroxy-4-methyl-2-pentanone is manufactured through the action of barium hydroxide, potassium hydroxide, or calcium hydroxide on acetone. Commercial materials may contain up to 15%acetone.

Definition

ChEBI: A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 1, p. 199, 1941
Tetrahedron Letters, 16, p. 4027, 1975 DOI: 10.1016/S0040-4039(00)91227-9

General Description

A clear colorless liquid with a pleasant odor. Flash point below 141°F. Less dense than water. Vapors heavier than air.

Air & Water Reactions

Highly flammable. Soluble in water.

Reactivity Profile

Acetyl bromide reacts violently with alcohols or water, [Merck 11th ed., 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid, [Chem. Eng. News 45(43):73(1967); J, Org. Chem. 28:1893(1963)]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites, [NFPA 491 M, 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

Health Hazard

Vapor is irritating to the mucous membrane of the eye and respiratory tract. Inhalation can cause dizziness, nausea, some anesthesia. Very high concentrations have a narcotic effect. The liquid is not highly irritating to the skin but can cause dermatitis.

Health Hazard

4-Hydroxy-4-methyl-2-pentanone is a mildirritant and a strong narcotic. It can causeirritation in the eyes, nose, throat, and skin.The effect on humans, however, is mild at100 ppm concentration.
Animal experiments indicated that it couldproduce sleep after a period of restlessnessand excitement. The symptoms of its toxicity are a marked decrease in breathing andblood pressure, and relaxation of the muscles. Ingestion of this compound in highdoses can damage corneal tissue and liver.The oral toxicity in rats was very low, witha LD50 value of 4000 mg/kg..

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Chemical Reactivity

Reactivity with Water : No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Mddly toxic by skin contact. Human systemic effects by inhalation: headache, nausea or vomiting, eye and pulmonary changes. A skin, mucous membrane, and severe eye irritant. Can cause anemia and damage to liver and hdneys. Narcotic in high concentration. Flammable liquid when exposed to heat or flame; can react with oxidzing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

Potential Exposure

It is used as a solvent for pigments, cellulose esters; oils and fats. It is used in hydraulic brake fluids and in antifreeze formulations.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

Carcinogenicity

Occupational exposure to 4-hydroxy-4-methyl-2- pentanone is most likely to be by inhalation and skin contact. It presents a low degree of hazard if good work practices are observed. Appropriate protective clothing and eye protection should be made available as prolonged exposure may defat the skin and cause dermatitis. The occurrence of eye, nose, and throat irritation and a recognizable odor at low concentrations should protect against overexposure to 4-hydroxy-4- methyl-2-pentanone.

Environmental Fate

Biological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM diacetone alcohol) and ThOD were 3.67 and 45.9%, respectively (Vaishnav et al., 1987).
Photolytic. Grosjean (1997) reported a rate constant of 4.0 x 10-12 cm3/molecule?sec at 298 K for the reaction of OH radicals in the atmosphere. Based on a OH concentration of 1.0 x 106 molecule/cm3, the reported half-life of diacetone alcohol is 2.0 d (Grosjean, 1997).

storage

Color Code—Red: Flammability Hazard: Store in aflammable liquid storage area or approved cabinet away fromignition sources and corrosive and reactive materials. Prior toworking with this chemical you should be trained on its properhandling and storage. Before entering confined space wherethis chemical may be present, check to make sure that anexplosive concentration does not exist. Diacetone alcohol mustbe stored to avoid contact with strong oxidizers (such as chlorine, bromine, and fluorine) or strong alkalis (such as sodiumhydroxide or potassium hydroxide) since violent reactionsoccur. Store in tightly closed containers in a cool, wellventilated area away from heat. Sources of ignition, such assmoking and open flames, are prohibited where diacetone alcohol is used, handled, or stored in a manner that could create apotential fire or explosion hazard. Metal containers involvingthe transfer of 5 gallons or more of diacetone alcohol shouldbe grounded and bonded. Drums must be equipped with selfclosing valves, pressure vacuum bungs, and flame arresters.

Shipping

UN1148 Diacetone alcohol, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

The pentanone loses water when heated. It can be dried with CaSO4, then fractionally distilled under reduced pressure. [Beilstein 1 IV 403.]

Incompatibilities

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, perox- ides, permanganates, perchlorates, chlorine, bromine, fluo- rine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides.

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinera- tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

Diacetone Alcohol Preparation Products And Raw materials

Raw materials

Acetone DOYLE DIRHODIUM CATALYST-RH2(4S-MEOX)4 Phthalic anhydride

Preparation Products

Mesityl oxide PAINT 4-Methyl-2-pentanol 2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE
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Americas 1 Argentina 1 Australia 8 Austria 1 Belgium 7 Brazil 1 Canada 4 Chile 2 China 282 Czech Republic 2 Europe 5 France 5 Germany 21 India 113 Italy 3 Japan 12 Malaysia 3 Mexico 1 Poland 1 Russia 3 Singapore 3 Slovakia 1 South Korea 2 Spain 2 Sweden 1 Switzerland 2 Thailand 1 The Netherlands 8 Turkey 1 United Arab Emirates 3 United Kingdom 20 United States 92 Global 612
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View Lastest Price from Diacetone Alcohol manufacturers

Hebei Yanxi Chemical Co., Ltd.
Product
Diacetone Alcohol 123-42-2
Price
US $30.00-24.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2023-10-08
Hebei Chuanghai Biotechnology Co,.LTD
Product
Diacetone Alcohol 123-42-2
Price
US $10.50/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 ton
Release date
2024-08-22
Hebei Mojin Biotechnology Co., Ltd
Product
Diacetone Alcohol 123-42-2
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-09-25

123-42-2, Diacetone AlcoholRelated Search:

4-Hydroxy-2-butanone Thiophanate-methyl 2-Pentanone Methyl acetate Kresoxim-methyl Mesotrione Methyl salicylate Ethyl acetate 2,5-Hexanedione 1-Methylcyclopentanol METSULFURON METHYL 2,2',4,4'-Tetrahydroxybenzophenone CHLOROPHOSPHONAZO III Tribenuron methyl METHYLCYCLOPENTADIENE DIMER Hydroxyacetone 2,4,4-TRIMETHYL-1-PENTENE 4'-Hydroxyacetophenone

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  • 4-Hydroxy-4-methyl-2-pentanone, 99+%
  • 4-HYDROXY-4-METHYL-2-PENTANONE, SYNTHESIS GRADE
  • 4-Hydroxy-4-methyl-2-pentanone, 98+%
  • 4-hydroxy-4-methylpentan-2-one diacetone alcohol
  • 1H-Pyrazole-1-carboxamide, 3,5-dimethyl-
  • 4-Hydroxy-4-Methyl-2-pentanone, 99+% 1LT
  • 4-Hydroxy-4-Methyl-2-pentanone, 99+% 2.5LT