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Diacetone Alcohol123-42-2

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$33-34/MT FOB

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CAS No.:

123-42-2

Grade:

Industrial Grade

Content:

99.5%

Port:

上海

Brand:

OORENT

Packaging:

Vial/Bottle/Bag/Carton

Price valid (until):

2026-07-17

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Qingdao Orient Chemical Co.,LTD

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Trader

Location:

China

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Description

Product Detail

Diacetone Alcohol Basic information

Application

Product Name:	Diacetone Alcohol
Synonyms:	(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-;TIMTEC-BB SBB009084;Diacetone Alcohol 〔4-Hydroxy-4-methyl-2-pentanone〕;Diaectone alcohol
CAS:	123-42-2
MF:	C6H12O2
MW:	116.16
EINECS:	204-626-7
Product Categories:	Building Blocks;C3 to C6;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;Industrial/Fine Chemicals;Organic solvents
Mol File:	123-42-2.mol

Diacetone Alcohol Chemical Properties

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.)
Fp	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
Concentration	0.1 mCi/ml
BRN	1740440
Solvent	Ethanol
Specific Activity	25-50 mCi/mmol
Henry's Law Constant	3.8×10¹ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Exposure limits	ACGIH:TLV-TWA 10 ppm OSHA:PEL-TWA 50 ppm (240 mg/m3) NIOSH:REL-TWA 50 ppm
Dielectric constant	18.2（Ambient）
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
Cosmetics Ingredients Functions	PERFUMING SOLVENT FRAGRANCE
Cosmetic Ingredient Review (CIR)	Diacetone Alcohol (123-42-2)
InChI	1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey	SWXVUIWOUIDPGS-UHFFFAOYSA-N
SMILES	CC(=O)CC(C)(C)O
LogP	-0.09 at 20℃
Surface tension	29.44 mN/m at 303.15K
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)

Safety Information

Hazard Codes	Xi
Risk Statements	36-R36
Safety Statements	24/25-S24/25
RIDADR	UN 1148 3/PG II/III (DIACETONE ALCOHOL)
OEB	A
OEL	TWA: 50 ppm (240 mg/m3)
WGK Germany	1
RTECS	SA9100000
F	9
Autoignition Temperature	640 °C
TSCA	TSCA listed
HS Code	2914 40 10
HazardClass	3
PackingGroup	III
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Repr. 2 STOT SE 3
Hazardous Substances Data	123-42-2(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 4.0 g/kg (Smyth)
IDLH	1,800 ppm [10% LEL]

MSDS Information

Provider	Language
4-Hydroxy-4-methyl-2-pentanone	English
SigmaAldrich	English
ACROS	English
ALFA	English

Diacetone Alcohol Usage And Synthesis

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 ppb_v) and 5.2 mg/m³ (1.1 ppm_v), respectively (Hellman and Small, 1974).
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.
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
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/moleculesec 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.
Toxics Screening Level	The final Initial Threshold Screening Level (ITSL) for diacetone alchohol is 2375 μg/m3 based on an 8-hour averaging time.
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-->Phthalic anhydride-->DOYLE DIRHODIUM CATALYST-RH2(4S-MEOX)4
Preparation Products	PAINT-->Mesityl oxide-->4-Methyl-2-pentanol-->2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE-->2,2,4,4,6-pentamethyl-hexahydropyrimidine-->Triacetonamine-->2,8-Dimethylquinoline-->6-Fluoroquinaldine-->6-Bromo-2-methylquinoline-->3,3,5,5-Tetramethyl-1,2,4-trithiolane-->6-CHLORO-2-METHYLQUINOLINE

Shop 3-Chloro-1-propene107-05-1-Detailed Image 2

Basic Info

Product Name:

Diacetone alcohol

Other Name:

2-Pentanone,4-hydroxy-4-methyl-;4-Hydroxy-4-methyl-2-pentanone;Diacetone alcohol;Diketone alcohol;4-Hydroxy-2-keto-4-methylpentane;2-Methyl-2-pentanol-4-one;Tyranton;Acetonyldimethylcarbinol;2-Methyl-4-oxo-2-pentanol;Pyranton A;4-Methyl-4-hydroxy-2-pentanone;2-Hydroxy-2-methyl-4-pentanone;4-Hydroxy-4-methyl-2-oxopentane;NSC 9005;2-Methyl-4-oxopentan-2-ol

CAS No.:

123-42-2

Molecular Formula:

C6H12O2

InChIKeys:

InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N

Molecular Weight:

116.15800

Exact Mass:

116.16

EC Number:

204-626-7

UNII:

Q7WP157PTD

ICSC Number:

0647

NSC Number:

9005

UN Number:

1148

DSSTox ID:

DTXSID6024917

Color/Form:

COLORLESS LIQUID|Colorless liquid.|Faint, minty odor.

HScode:

2914130000

Categories:

Paint Solvent

Characteristics

PSA:

37.30000

XLogP3:

0.73640

Appearance:

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

Density:

0.9382 g/cm³ @ Temp: 20 °C

Melting Point:

-44 °C

Boiling Point:

22.0 °C @ Press: 1.0 Torr

Flash Point:

58ºC

Refractive Index:

1.4223-1.4243

Water Solubility:

Miscible

Storage Conditions:

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure:

<1 mm Hg ( 20 °C)

Vapor Density:

4 (vs air)

Flammability characteristics:

Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

Explosive limit:

vol% in air: 1.8.9

Odor:

FAINT PLEASANT ODOR

OH:

4.00e-12 cm3/molecule*sec

Experimental Properties:

CONVERSION FACTORS: 1 PPM= 4.75 MG/CU M; 1 MG/L= 216.5 PPM|It forms a constant boiling mixture with water at 99.6 °C containing about 13% diacetone alcohol

Air and Water Reactions:

Highly flammable. Soluble in water.

Reactive Group:

Alcohols and Polyols

Reactivity Alerts:

Highly Flammable

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)].

Autoignition Temperature:

1118 °F (USCG, 1999)|ACETONE-FREE 603 °C (1118 °F); COMMERCIAL 643 °C (1190 °F)|640 °C

Heat of Combustion:

-13000 Btu/lb= -7250 cal/g= -303X10+5 J/kg (est)

Flammable Limits:

1.8% LOWER & 6.9% UPPER|Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

Heat of Vaporization:

11718.8 GCAL/GMOL

Critical Temperature & Pressure:

CRITICAL TEMPERATURE: 633 °F, 334 °C, 607 DEG K; CRITICAL PRESSURE: 380 PSIA= 36 ATM= 3.6 MN/SQ M

See More Diacetone alcohol Properties 

Hazard Identification

Classification of the substance or mixture

Eye irritation, Category 2

GHS label elements, including precautionary statements

Precautionary statement(s)
Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	none
Disposal	none

Other hazards which do not result in classification

no data available

Handling and Storage

Precautions for safe handling

NO open flames, NO sparks and NO smoking. Above 58Â°C use a closed system, ventilation and explosion-proof electrical equipment. Use non-sparking handtools. Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.

Conditions for safe storage, including any incompatibilities

Fireproof. Separated from acids, bases, amines and oxidants.... MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL WELL-VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED ... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED .

See More Diacetone alcohol Safety Data Sheet 

Seller Information

Business Type:
Trader

Main Products:
pharmaceutical intermediates,peptides,electronic chemicals

Location:
Room 102, 1st Floor, East Office Building, No. 45 Pengwan Road, Qianwan Bonded Port Area, Qingdao Zone, China (Shandong) Pilot Free Trade Zone

Payment Terms:
100% TT in advance

Average lead Time:
10

Total Annual Revenue:
$10 million-$25 million

Total Employees:
51-100

Year of Establishment:
2024

A reliable supplier is like insurance.

We are mainly specilized in supply of pharmaceutical intermediates, electronic chemicals，food additives, and other fine chemical products.
Integrity is the foundation, quality is life. We would like to work together with you to build a greener and brighter future.

Website: orientchem.cc
Email: scarlett@orientchem.cc
WhatsApp: +86 17753254221

Inquiry History

4 Inquiries

Country	Product	Purchase Quantity	Date Posted
South Korea	Diacetone alcohol	8 MT	Apr 14, 2026
India	Diacetone Alcohol	15 MT	Dec 18, 2024
India	DI-ACETONE	1.00 20' Fcl	Oct 26, 2023
Brazil	DIACETONE ALCOHOL	16 TON	Sep 21, 2023

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Diacetone Alcohol123-42-2

Product Description

Seller Information

Inquiry History

Classification of the substance or mixture

GHS label elements, including precautionary statements

Other hazards which do not result in classification

Precautions for safe handling

Conditions for safe storage, including any incompatibilities

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