1,3-Acetonedicarboxylic acid

Product Name: 1,3-Acetonedicarboxylic acid
CAS No.: 542-05-2
Chemical Name: 1,3-Acetonedicarboxylic acid
Synonyms: 3-OXOPENTANEDIOIC ACID;ACETONEDICARBOXYLIC ACID;3-OXOGLUTARIC ACID;ACETONE-1,3-DICARBOXYLIC ACID;ACETONEDIACETIC ACID;BETA-OXOGLUTARIC ACID;BETA-KETOGLUTARIC ACID;4-oxo-1,7-heptanedioic acid;,3-Acetonedicarboxylic acid;1,3-Acetonedicarboxylic acid,96%
CBNumber: CB1710881
Molecular Formula: C5H6O5
Formula Weight: 146.1
MOL File: 542-05-2.mol

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1,3-Acetonedicarboxylic acid Property

Melting point:: 133 °C (dec.) (lit.)
Boiling point:: 185.67°C (rough estimate)
Density: 1.2821 (rough estimate)
bulk density: 400kg/m3
vapor pressure: 0.005Pa at 25℃
refractive index: 1.3920 (estimate)
storage temp.: -20°C
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: Crystalline Powder
pka: pK (25°) 3.10
color: White
Water Solubility: soluble
Sensitive: Hygroscopic
Merck: 14,68
BRN: 1447081
Stability:: Unstable in Solution
InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N
LogP: -0.5 at 30℃
CAS DataBase Reference: 542-05-2(CAS DataBase Reference)
EPA Substance Registry System: Pentanedioic acid, 3-oxo- (542-05-2)

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Safety

Hazard Codes: Xi
Risk Statements: 44-36/37/38
Safety Statements: 22-24/25-37/39-26-36
WGK Germany: 3
F: 3
TSCA: Yes
HS Code: 29183000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 8.20940
Product name: 3-Oxoglutaric acid
Purity: for synthesis
Packaging: 50G
Price: $103
Updated: 2024/03/01

Sigma-Aldrich

Product number: 8.20940
Product name: 3-Oxoglutaric acid
Purity: for synthesis
Packaging: 250G
Price: $356
Updated: 2024/03/01

Sigma-Aldrich

Product number: 165115
Product name: 1,3-Acetonedicarboxylic acid
Purity: technical grade
Packaging: 25g
Price: $42.3
Updated: 2024/03/01

Sigma-Aldrich

Product number: 165115
Product name: 1,3-Acetonedicarboxylic acid
Purity: technical grade
Packaging: 100g
Price: $105
Updated: 2024/03/01

TCI Chemical

Product number: K0006
Product name: 1,3-Acetonedicarboxylic Acid
Purity: >95.0%(T)
Packaging: 25g
Price: $56
Updated: 2024/03/01

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1,3-Acetonedicarboxylic acid Chemical Properties,Usage,Production

Chemical Properties

white to off-white powder

Physical properties

Acetonedicarboxylic acid forms colorless crystals that are readily soluble in water and ethanol, and sparingly soluble in trichloromethane and diethyl ether. It melts with decomposition at 138 ℃.

Uses

β-Ketoglutaric Acid is used in the synthesis of benzodiazepine derivatives. Also used in the synthesis of orally available hepatitis C virus polymerase inhibitors.

Uses

Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans.

Definition

ChEBI: 3-Oxoglutaric acid is an oxo carboxylic acid.

Production Methods

Acetonedicarboxylic acid is produced from citric acid [77-92-9] by many industrial processes that differ only slightly. Citric acid is treated with oleum and reacts to yield acetonedicarboxylic acid via decarbonylation and dehydration.
Other possible production methods include reaction of acetone with carbon dioxide, oxidation of citric acid with chlorosulfuric acid, or reaction of ketene with phosgene.

Flammability and Explosibility

Non flammable

Purification Methods

Crystallise it from ethyl acetate and store it over P2O5. It decarboxylates in hot water. [Beilstein 3 IV 1816.]

1,3-Acetonedicarboxylic acid Preparation Products And Raw materials

Raw materials

LIMONIN(SH) FUMING SULFURIC ACID

Preparation Products

Diethyl 1,3-acetonedicarboxylate (+/-)-exo-6-Hydroxytropinone 3,6-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octane-6-acetate N-ISOPROPYLNORTROPINYL A HYDROXYMETHYL)PHENYLACETATE Tropinone endo-8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol 8-isopropyl-8-azabicyclo[3.2.1]oct-3-yl endo-(±)-formylphenylacetate TROPYL A ORMULPHENYLACETATE 8-isopropyl-8-azabicyclo[3.2.1]octan-3-one 6-ACETHYOXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-ONE

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1,3-Acetonedicarboxylic acid Suppliers

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View Lastest Price from 1,3-Acetonedicarboxylic acid manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD

Product: 1,3-Acetonedicarboxylic acid 542-05-2
Price: US $0.00-0.00/Kg/Drum
Min. Order: 1KG
Purity: 98%min
Supply Ability: 1000kg/month
Release date: 2022-01-05

HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD

Product: 1,3-Acetonedicarboxylic acid 542-05-2
Price: US $100.00-75.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 5000
Release date: 2024-08-15

Baoji Guokang Bio-Technology Co., Ltd.

Product: 1,3-Acetonedicarboxylic acid 542-05-2
Price: US $85.00/Kg/Bag
Min. Order: 1KG
Purity: 98%
Supply Ability: 1T
Release date: 2021-06-03

542-05-2, 1,3-Acetonedicarboxylic acidRelated Search:

Ethyl 2-(Chlorosulfonyl)acetate Diacetone Alcohol 1,3-Dihydroxyacetone Hyaluronic acid Citric acid Dibenzylideneacetone 2,5-PYRIDINEDICARBOXYLIC ACID Folic acid Diethyl ketomalonate 2,2-Dipropylmalonic acid Diethyl propylmalonate Ascoric Acid Phenylacetone Propiophenone Diethyl-1,3-acetonedicarboxylic acid,1,3-ACETONEDICARBOXYLIC ACID DIETHYL ESTER,ACETONEDICARBOXYLIC ACID DIETHYL ESTER,Acetonedicarboxylic acid diethylether 3,3'-CARBONYLBIS(7-DIETHYLAMINOCOUMARIN) 3,3'-CARBONYLBIS(7-METHOXYCOUMARIN) 1,3-Acetonedicarboxylic acid anhydride,1,3-ACETONEDICARBOXYLIC ACID ANHYDRIDE 98,1,3-Acetonedicarboxylic acid anhydride 98%

1,3-Acetonedicarboxylic acid,96%

1,3-Acetonediacrboxylicacid

3-oxo-pentanedioicaci

3-Oxopentane-1,5-dioic acid

1,3-ACETONEDICARBOXYLIC ACID, TECH.

1,3-ACETONEDICARBOXYLIC ACID, 3-KETOGLUTARIC ACID

Acetone-1,3-dicarboxylicacid,97%

2-OXO-1,3-PROPANE DICARBOXYLIC ACID

1,3-Acetonedicarboxylic

Pentanedioic acid, 3-oxo-

1,3-ACETONEDICARBOXYLIC ACID OR 3-KETOGLUTARIC ACID OR 3-OXO-PENTANEDIOIC ACID

β-Ketoglutaric scid

1,3-Acetonedicarboxylic acid ,97%

1,3-Acetonedicarboxylic acid,3-Oxoglutaric acid

1,3-Acetonedicarboxy

1,3-Acetonedicarboxylic acid, 96% 100GR

3-Ketoglutaric Acid 3-Oxoglutaric Acid

1,3-Acetonedicarboxylic acid technical grade

3-Oxoglutaric acid 3-Ketoglutaric acid 3-Oxopentanedioic acid

3-Oxoglutaric acid for synthesis

BETA-KETOGLUTARIC ACID

BETA-OXOGLUTARIC ACID

1,3-ACETONEDICARBOXYLIC ACID

ACETONEDICARBOXYLIC ACID

ACETONEDIACETIC ACID

ACETONE-1,3-DICARBOXYLIC ACID

3-KETOGLUTARIC ACID

3-OXOPENTANEDIOIC ACID

3-OXOGLUTARIC ACID

1,3-Dicarboxyacetone

s-Acetonedicarboxylic acid

Sodium Valproate Impurity 18

4-oxo-1,7-heptanedioic acid

1,3-Acetonedicarboxylic acid 97%

Синонимы: Acetone-1,3-dicarboxylic acid, 3-Ketoglutaric acid, 3-Oxoglutaric acid

,3-Acetonedicarboxylic acid

AcetonedicarboxylicAcid&gt

1,3-Acetonedicarboxylic acid, 97%, reagent grade

1.3Acetonedicarboxylicaid

β-Ketoglutaric Acid

YM-09730-5 hydrochloride

1,3-Acetone-dicarboxalic acid

Metronidazole Impurity 22

542-05-2

42-05-2

HOOCCH22COCH22COOH

HOOCCH2CH2COCOOH

COCH2COOH2

C5H6O5

HOOCCH2COCH2COOH

OCH2COOH2

COC2H4COOH2

Building Blocks

C1 to C5

Carboxylic Acids

Carbonyl Compounds

Organic Building Blocks

Pharmaceutical Intermediates