- 10,10'-Bis([1,1'-biphenyl]-4-yl)-9,9'-bianthracene
- 10,10'-Dibromo-9,9'-bianthryl
- 10,10-Dimethylanthrone
- 10,10-Oxybisphenoxarsine
- 10-[1,1'-Biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-9H-thioxanthenium hexafluorophosphate
- 10,11-Dehydroimipramine
- 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
- 10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine
- 10,11-DIHYDRO-2-(4-METHYL-1-PIPERAZINYL)-11-(3,4-XYLYL)PYRIDAZINO(3,4b)(1,4)-BENZOXAZEPINE MALEATE
- 10,11-Dihydro-5-(3-dimethylamino-2-methylpropyl)-5h-dibenz (b,f)azepine
- 54-20-62,4(1H,3H)-Pyrimidinedione,5-(trifluoromethyl)-
- 542-08-5Isopropyl acetoacetate
- 542-10-91,1-Ethanediol,1,1-diacetate
- 54211-46-0[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl-
- 54212-34-91H-2-Benzopyran-4(3H)-one,7-methoxy-
- 5421-35-2Cyclopentanecarboxylicacid, 3-isopropyl-1-methyl-, piperonyl ester, cis- (8CI)
- 5421-46-5Acetic acid,2-mercapto-, ammonium salt (1:1)
- 542-16-5Aniline sulfate
- 5421-66-91,3-Benzenediamine,4,4'-[(4-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis[6-methyl-, hydrochloride(1:2)
- 54-21-7Sodium salicylate
Hot Products
- 5421-46-5Ammonium thioglycolate
- 542-18-7Chlorocyclohexane
- 542-28-9delta-Valerolactone
- 54229-13-9[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium chloride
- 5423-23-4Guanidine phosphate
- 542-46-1CIVETONE
- 542-88-1BIS(CHLOROMETHYL)ETHER
- 54302-04-41-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-, polymer with chlorotrifluoroethene and ethene
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
1,3-Acetonedicarboxylic acid |
EINECS | 208-797-9 |
| CAS No. | 542-05-2 | Density | 1.499 g/cm3 |
| PSA | 91.67000 | LogP | -0.49510 |
| Solubility | Soluble in water | Melting Point |
133 °C (dec.)(lit.) |
| Formula | C5 H6O5 | Boiling Point | 408.4 °C at 760 mmHg |
| Molecular Weight | 146.1 | Flash Point | 214.9 °C |
| Transport Information | N/A | Appearance | 44-36/37/38 |
| Safety | 22-24/25-37/39-26 | Risk Codes | 44-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Glutaricacid, 3-oxo- (8CI);Glutaric acid, b-oxo- (4CI);1,3-Dicarboxyacetone;3-Ketoglutaric acid;3-Oxoglutaric acid;3-Oxopentanedioic acid;Acetone-1,3-dicarboxylic acid;s-Acetonedicarboxylic acid;b-Ketoglutaric acid;b-Oxoglutaric acid;3-oxopentanedioic acid; |
Article Data | 61 |
1,3-Acetonedicarboxylic acid Synthetic route
- 152294-13-8
2-methoxypropane-1,3-dicarboxylic acid
- 542-05-2
acetonedicarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-methoxypropane-1,3-dicarboxylic acid With sodium nitrate; lead(IV) tetraacetate at 36℃; for 2.5h; Stage #2: With zinc(II) oxalate at 36℃; for 2h; Temperature; | 98.2% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at -3 - 30℃; for 7h; | 93.1% |
| With potassium bromate; hydrogenchloride; water Rate constant; Thermodynamic data; kobs vs. substrate concentration at 35 deg C and vs. HCl concentration at 40 deg C; ΔH(excit), ΔS(excit) (temp.-range 30-45 deg C); | |
| With potassium bromate; cerium (IV) sulfate In water at 26℃; oscillatory reaction, effect of the storing time; |
- 542-05-2
acetonedicarboxylic acid
| Conditions | Yield |
|---|---|
| With aluminum oxide; hypochlorous acid phenyl ester; sodium chloride In 5,5-dimethyl-1,3-cyclohexadiene at 6 - 55℃; for 4.5h; Temperature; | 91% |
- 53798-96-2
1,5-dimethyl citrate
- 542-05-2
acetonedicarboxylic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 115996-74-2
2-hydroxypropane-1,2,3-tricarboxylic acid
- 542-05-2
acetonedicarboxylic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid 1 h 20 deg C, then 3 h 50 deg C; |
| Conditions | Yield |
|---|---|
| With potassium bromate; sulfuric acid; cerous nitrate at 25 - 35℃; Thermodynamic data; activation energy, dual frequency oscillating reaction; |
| Conditions | Yield |
|---|---|
| With cerium (IV) sulfate; phosphoric acid In water at 25℃; Kinetics; Mechanism; Thermodynamic data; CH3COOH, other neutral salts and temperatures, ΔE(activ.); |
| Conditions | Yield |
|---|---|
| With ruthenium trichloride; perchloric acid; bromate salt; sulfuric acid; mercury(II) diacetate In water at 19.9 - 39.9℃; Rate constant; | |
| With potassium bromate; perchloric acid; mercury(II) diacetate In acetic acid at 29.84℃; Kinetics; Further Variations:; Reagents; |
1,3-Acetonedicarboxylic acid Chemical Properties
.jpg)
IUPAC Name: 3-Oxopentanedioic acid
Molecular Formula: C5H6O5
Molecular Weight: 146.10 g/mol
Canonical SMILES: C(C(=O)CC(=O)O)C(=O)O
InChI: InChI=1/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
EINECS: 208-797-9
Product Categories: Pharmaceutical Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; API intermediates
Water Solubility: soluble
Sensitive: Hygroscopic
XLogP3-AA: -0.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Tautomer Count: 5
Exact Mass; 146.021523
MonoIsotopic Mass: 146.021523
Topological Polar Surface Area: 91.7
Heavy Atom Count: 10
Complexity: 153
Molar Volume: 97.4 cm3
Polarizability: 11.24×10-24 cm3
Surface Tension: 67.9 dyne/cm
Density: 1.499 g/cm3
Flash Point: 214.9 °C
Enthalpy of Vaporization: 72.46 kJ/mol
Boiling Point: 408.4 °C at 760 mmHg
Storage temperature: 2-8 °C
Melting Point: 133 °C (dec.)(lit.)
Vapour Pressure of 1,3-Acetonedicarboxylic acid (CAS NO.542-05-2): 8.2E-08 mmHg at 25 °C
1,3-Acetonedicarboxylic acid Uses
1,3-Acetonedicarboxylic acid (CAS NO.542-05-2) may be used as a building block in organic chemistry.
1,3-Acetonedicarboxylic acid Production
Use citric acid as raw material, in the presence of concentrated sulphuric acid , 1,3-Acetonedicarboxylic acid (CAS NO.542-05-2) is obtain from de-formic acid .
1,3-Acetonedicarboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 44-36/37/38
R44: Risk of explosion if heated under confinement.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36
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 of 1,3-Acetonedicarboxylic acid (CAS NO.542-05-2): 3
1,3-Acetonedicarboxylic acid Specification
1,3-Acetonedicarboxylic acid (CAS NO.542-05-2), its Synonyms are 3-Ketoglutaric acid ; 3-Oxoglutaric acid ; 3-Oxopentanedioic acid ; Pentanedioic acid, 3-oxo- . It is white to off-white powder.
What can I do for you?
Get Best Price
