ChemicalBook >> CAS DataBase List >>1,3-Acetonedicarboxylic acid
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
- Molecular Weight:
- 146.1
- MDL Number:
- MFCD00002711
- MOL File:
- 542-05-2.mol
- MSDS File:
- SDS
Last updated:2023-10-21 11:55:10
| 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) |
| FDA UNII | IH7P7WO21P |
| 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(41)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.20940 | 3-Oxoglutaric acid for synthesis | 542-05-2 | 50G | $103 | 2024-03-01 | Buy |
| Sigma-Aldrich | 8.20940 | 3-Oxoglutaric acid for synthesis | 542-05-2 | 250G | $356 | 2024-03-01 | Buy |
| Sigma-Aldrich | 165115 | 1,3-Acetonedicarboxylic acid technical grade | 542-05-2 | 25g | $42.3 | 2024-03-01 | Buy |
| Sigma-Aldrich | 165115 | 1,3-Acetonedicarboxylic acid technical grade | 542-05-2 | 100g | $105 | 2024-03-01 | Buy |
| TCI Chemical | K0006 | 1,3-Acetonedicarboxylic Acid >95.0%(T) | 542-05-2 | 25g | $56 | 2024-03-01 | 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.
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
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
1of3
Global( 573)Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hebei Zhanyao Biotechnology Co. Ltd | 15369953316 +8615369953316 | admin@zhanyaobio.com | China | 2136 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8617531190177 | peter@yan-xi.com | China | 5993 | 58 |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | sales@capotchem.com | China | 29797 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | info@dakenam.com | China | 15371 | 58 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21695 | 55 |
| Hangzhou FandaChem Co.,Ltd. | 008657128800458; +8615858145714 | fandachem@gmail.com | China | 9350 | 55 |
| Nanjing ChemLin Chemical Industry Co., Ltd. | 025-83697070 | product@chemlin.com.cn | CHINA | 3012 | 60 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418679 +86-18949832763 | info@tnjchem.com | China | 2989 | 55 |
| Shanxi Naipu Import and Export Co.,Ltd | +86-13734021967 +8613734021967 | kaia@neputrading.com | China | 1011 | 58 |
| career henan chemical co | +86-0371-86658258 | sales@coreychem.com | China | 29914 | 58 |
View Lastest Price from 1,3-Acetonedicarboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-04-23 | 1,3-Acetonedicarboxylic acid
542-05-2
|
US $1.00-0.10 / kg | 1kg | 99% | 20tons | Hebei Dangtong Import and export Co LTD | |
 |
2024-01-08 | 1,3-Acetonedicarboxylic acid
542-05-2
|
US $25.00 / kg | 1kg | 99.96% | 500ton | Wuhan Boyuan Import & Export Co., LTD | |
 |
2023-10-09 | 1,3-Acetonedicarboxylic acid
542-05-2
|
US $0.00 / kg | 1kg | 0.99 | 20tons | Hebei Yanxi Chemical Co., Ltd. |
-
- 1,3-Acetonedicarboxylic acid
542-05-2
- US $1.00-0.10 / kg
- 99%
- Hebei Dangtong Import and export Co LTD
-
- 1,3-Acetonedicarboxylic acid
542-05-2
- US $25.00 / kg
- 99.96%
- Wuhan Boyuan Import & Export Co., LTD
-
- 1,3-Acetonedicarboxylic acid
542-05-2
- US $0.00 / kg
- 0.99
- Hebei Yanxi Chemical Co., Ltd.
542-05-2(1,3-Acetonedicarboxylic acid)Related Search:
Diethyl propylmalonate
2,2-Dipropylmalonic acid
Diethyl ketomalonate
Hyaluronic acid
1,3-Dihydroxyacetone
1of4
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
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
Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts