ChemicalBook > CAS DataBase List > 1,3-Acetonedicarboxylic acid

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)
vapor pressure 
0.005Pa at 25℃
refractive index 
1.3920 (estimate)
storage temp. 
-20°C
solubility 
DMSO (Slightly, Heated), Methanol (Slightly)
pka
pK (25°) 3.10
form 
Crystalline Powder
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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View Lastest Price from 1,3-Acetonedicarboxylic acid manufacturers

Hebei Duling International Trade Co. LTD
Product
1,3-Acetonedicarboxylic acid 542-05-2
Price
US $20.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
5000 tons
Release date
2022-09-19
Wuhan Boyuan Import & Export Co., LTD
Product
1,3-Acetonedicarboxylic acid 542-05-2
Price
US $25.00/kg
Min. Order
1kg
Purity
99.96%
Supply Ability
500ton
Release date
2023-04-27
Hebei Yanxi Chemical Co., Ltd.
Product
1,3-Acetonedicarboxylic acid 542-05-2
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20tons
Release date
2023-10-09

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