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1,3-Acetonedicarboxylic acid

1,3-Acetonedicarboxylic acid Structure
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
Molecular Weight:
146.1
MOL File:
542-05-2.mol
MSDS File:
SDS
Modify Date:
2024/7/25 20:04:51

1,3-Acetonedicarboxylic acid Properties

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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  44-36/37/38
Safety Statements  22-24/25-37/39-26-36
WGK Germany  3
3
TSCA  Yes
HS Code  29183000
NFPA 704
2
2 1

1,3-Acetonedicarboxylic acid price More Price(9)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 8.20940 3-Oxoglutaric acid for synthesis 542-05-2 50G ₹4850 2022-06-14 Buy
Sigma-Aldrich(India) 8.20940 3-Oxoglutaric acid for synthesis 542-05-2 250G ₹26000.01 2022-06-14 Buy
Sigma-Aldrich(India) 165115 1,3-Acetonedicarboxylic acid technical grade 542-05-2 25G ₹1959.33 2022-06-14 Buy
Sigma-Aldrich(India) 165115 1,3-Acetonedicarboxylic acid technical grade 542-05-2 100G ₹5098.58 2022-06-14 Buy
ALFA India ALF-A13742-30 Acetone-1,3-dicarboxylic acid, 97% 542-05-2 250g ₹12247 2022-05-26 Buy
Product number Packaging Price Buy
8.20940 50G ₹4850 Buy
8.20940 250G ₹26000.01 Buy
165115 25G ₹1959.33 Buy
165115 100G ₹5098.58 Buy
ALF-A13742-30 250g ₹12247 Buy

1,3-Acetonedicarboxylic acid Chemical Properties,Uses,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.

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.

Purification Methods

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

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1,3-Acetonediacrboxylicacid 3-oxo-pentanedioicaci 3-Oxopentane-1,5-dioic acid 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-Acetonedicarboxy 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 1,3-ACETONEDICARBOXYLIC ACID 3-KETOGLUTARIC ACID 1,3-Dicarboxyacetone s-Acetonedicarboxylic acid Sodium Valproate Impurity 18 1,3-Acetonedicarboxylic acid 97% Синонимы: Acetone-1,3-dicarboxylic acid, 3-Ketoglutaric acid, 3-Oxoglutaric acid AcetonedicarboxylicAcid> 1,3-Acetonedicarboxylic acid, 97%, reagent grade 1.3Acetonedicarboxylicaid β-Ketoglutaric Acid YM-09730-5 hydrochloride 1,3-Acetonedicarboxylic acid ,97% 1,3-Acetonedicarboxylic acid, 96% 100GR BETA-OXOGLUTARIC ACID ACETONEDICARBOXYLIC ACID ACETONE-1,3-DICARBOXYLIC ACID 3-OXOGLUTARIC ACID 4-oxo-1,7-heptanedioic acid 1,3-Acetonedicarboxylic acid,96% 1,3-ACETONEDICARBOXYLIC ACID, TECH. 1,3-Acetonedicarboxylic acid,3-Oxoglutaric acid BETA-KETOGLUTARIC ACID ACETONEDIACETIC ACID 3-OXOPENTANEDIOIC ACID ,3-Acetonedicarboxylic acid 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