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123-42-2

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Identification

Name
4-Hydroxy-4-methyl-2-pentanone
CAS
123-42-2
Synonyms
2-METHYL-2-PENTANOL-4-ONE
4-HYDROXY-2-KETO-4-METHYLPENTANE
4-HYDROXY-4-METHYL-2-PENTANONE
4-HYDROXY-4-METHYLPENTAN-2-ONE
DAA
DIACETONE ALCOHOL
TIMTEC-BB SBB009084
(CH3)2C(OH)CH2C(O)CH3
2-Hydroxy-2-methyl-4-pentanone
2-Methyl-3-pentanol-4-one
2-Methylpentan-2-ol-4-one
2-Pentanone, 4-hydroxy-4-methyl-
4-hydroxy-4-methyl-2-pentanon
4-hydroxy-4-methyl-2-pentanone(diacetonealcohol)
4-hydroxy-4-methylpentan-
4-Hydroxy-4-methyl-pentan-2-on
4-hydroxy-4-methyl-pentan-2-on(german,dutch)
4-Hydroxy-4-methylpentanone
4-Hydroxy-4-methylpentanone-2
4-hydroxyl-2-keto-4-methylpentane
EINECS(EC#)
204-626-7
Molecular Formula
C6H12O2
MDL Number
MFCD00004471
Molecular Weight
116.16
MOL File
123-42-2.mol

Chemical Properties

Appearance
colourless liquid
Appearance
Diacetone alcohol is a colorless liquid. Mild, mint odor.
mp 
-42.8 °C
bp 
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.)

Fp 
132 °F

Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
Water Solubility 
MISCIBLE
Merck 
14,2964
BRN 
1740440
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
123-42-2(EPA Substance)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R36:Irritating to the eyes.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR 
UN 1148 3/PG 3

WGK Germany 
1

RTECS 
SA9100000


9
HazardClass 
3
PackingGroup 
III
HS Code 
29144000
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.
Hazardous Substances Data
123-42-2(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description
A clear colorless liquid with a pleasant odor. Flash point below 141°F. Less dense than water. Vapors heavier than air.
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)].
Air & Water Reactions
Highly flammable. Soluble in water.
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.
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.
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.
First aid
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, includ- ing resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
Shipping
UN1148 Diacetone alcohol, Hazard Class: 3; Labels: 3-Flammable liquid.
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.

Material Safety Data Sheet(MSDS)

Questions And Answer

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.

Spectrum Detail

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