1,3-Acetonedicarboxylic acid
![1,3-Acetonedicarboxylic acid Structure](CAS/GIF/542-05-2.gif)
- 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
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 | |||||||||
F | 3 | |||||||||
TSCA | Yes | |||||||||
HS Code | 29183000 | |||||||||
NFPA 704 |
|
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 |
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.]
1,3-Acetonedicarboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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HiMedia Laboratories | 91-22-61471919 | Maharashtra, India | 1843 | 58 | Inquiry |
Supplier | Advantage |
---|---|
BTC pharm India | 58 |
GLR Innovations | 58 |
SYNGREEN LIFESCIENCES PVT.LTD | 58 |
Synthetic Research Pharma Laboratories Pvt Ltd | 58 |
VUOS | 58 |
MTS LABORATORIES | 58 |
ALS INDIA LIFE SCIENCES | 58 |
Svaks Biotech India Pvt Ltd | 58 |
A. B. Enterprises | 58 |
HiMedia Laboratories | 58 |
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