| Identification | More | [Name]
1,3-Acetonedicarboxylic acid | [CAS]
542-05-2 | [Synonyms]
1,3-ACETONEDICARBOXYLIC ACID
3-KETOGLUTARIC ACID
3-OXOGLUTARIC ACID
3-OXOPENTANEDIOIC ACID
ACETONE-1,3-DICARBOXYLIC ACID
ACETONEDIACETIC ACID
ACETONEDICARBOXYLIC ACID
BETA-KETOGLUTARIC ACID
BETA-OXOGLUTARIC ACID
1,3-Acetonediacrboxylicacid
3-oxo-pentanedioicaci
β-Ketoglutaric scid
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 | [EINECS(EC#)]
208-797-9 | [Molecular Formula]
C5H6O5 | [MDL Number]
MFCD00002711 | [Molecular Weight]
146.1 | [MOL File]
542-05-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white powder | [Melting point ]
133 °C (dec.) (lit.) | [Boiling point ]
185.67°C (rough estimate) | [bulk density]
400kg/m3 | [density ]
1.2821 (rough estimate) | [vapor pressure ]
0.005Pa at 25℃ | [refractive index ]
1.3920 (estimate) | [storage temp. ]
2-8°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 | [InChI]
1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)/p-2 | [InChIKey]
OXTNCQMOKLOUAM-UHFFFAOYSA-N | [SMILES]
[O-]C(=O)CC(=O)CC(=O)[O-] | [LogP]
-0.5 at 30℃ | [CAS DataBase Reference]
542-05-2(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
542-05-2(EPA Substance) |
| Safety Data | Back Directory | [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 ]
R44:Risk of explosion if heated under confinement.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [F ]
3 | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29183000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [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. | [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]
Nonflammable | [storage]
Store at -20°C,unstable in solution, ready to use. | [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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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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