Products Categories
| CAS No.: | 539-88-8 |
|---|---|
| Name: | Ethyl levulinate |
| Article Data: | 233 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O3 |
| Molecular Weight: | 144.17 |
| Synonyms: | FEMA No. 2442;Ethyl ketovalerate;Ethyl 4-oxopentanoate;Levulinic acid, ethyl ester;Ethyl 4-oxovalerate;Ethyl levulinate (natural);Ethyl 4-ketovalerate;Ethyl 3-acetylpropionate;Ethyl acetylpropanoate;Ethyl-4-oxovalerate; |
| EINECS: | 208-728-2 |
| Density: | 0.996 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 205.499 °C at 760 mmHg |
| Flash Point: | 919 °C |
| Solubility: | Soluble in water. |
| Appearance: | clear yellowish liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 43.37000 |
| LogP: | 0.91870 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With Zirconium Exchanged Phosphotungstic Acid at 120℃; for 2h; Temperature; | 100% |
| With sulfuric acid for 16h; Reflux; | 100% |
| With naphthalene; N,N,N-triethyl-N-butanesulfonic acid ammonium hydrogen sulfate at 140℃; for 0.5h; | 99% |
| Conditions | Yield |
|---|---|
| With Amberlyst 15 at 140℃; for 5h; | 99% |
| With naphthalene; N,N,N-triethyl-N-butanesulfonic acid ammonium hydrogen sulfate at 140℃; for 24h; | 85% |
| With Amberlyst-15 at 120℃; | 74% |
| Conditions | Yield |
|---|---|
| With MCM-41; amberlyst-15 In ethyl acetate at 15 - 80℃; for 5h; Temperature; Solvent; Reagent/catalyst; | 96.92% |
| With tetrachloromethane; iron(III)-acetylacetonate at 70℃; | 95% |
| With Amberlyst-15 at 120℃; | 95% |
| Conditions | Yield |
|---|---|
| at 20 - 80℃; for 5h; Temperature; Reagent/catalyst; | 96.65% |
| Conditions | Yield |
|---|---|
| With tungsten(VI) oxide In ethanol under 30003 Torr; for 2h; Reagent/catalyst; Autoclave; Inert atmosphere; Sealed tube; | 93.3% |
| With sulphated alumina In ethanol at 200℃; for 3h; Catalytic behavior; Temperature; Reagent/catalyst; Time; | 80.6% |
| With divinylbenzene polymer with acid ionic liquid In ethanol at 150℃; under 760.051 Torr; for 12h; Solvent; Inert atmosphere; | 75% |
- 78932-46-4
2-Methoxy-2-methyl-cyclopropanecarboxylic acid ethyl ester
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid In water; acetone for 2h; Ambient temperature; | 93% |
- 98-00-0
(2-furyl)methyl alcohol
- 64-17-5
ethanol
A
- 6270-56-0
2-(ethoxymethyl)furan
B
- 1446756-00-8
4,5,5-triethoxypentan-2-one
C
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| at 110℃; for 2h; Temperature; Reagent/catalyst; Autoclave; Ionic liquid; | A n/a B n/a C 92% |
| With hydrothermally treated graphene oxide (GO-HT) at 120℃; for 6h; Autoclave; | A 38.8% B 11.7% C 39.7% |
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
- 64-17-5
ethanol
A
- 1917-65-3
5-(ethoxymethyl)furfural
B
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With dual acidic Glu-TsOH-Ti catalyst at 90℃; for 6h; Reagent/catalyst; | A 91% B n/a |
| With mesoporous silica Z-SBA-15 catalyst at 140℃; for 5h; | A 76% B 23% |
| With partially reduced graphene oxide (S-RGO) at 140℃; for 24h; | A 71% B 22% |
- 14583-98-3
1-tributylstannanyl-propan-2-one
- 105-36-2
ethyl bromoacetate
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide In benzene at 25℃; for 7h; | 90% |
| In benzene for 1h; Ambient temperature; Irradiation; | 50% |
| With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 100℃; for 9h; | 41% |
- 98-00-0
(2-furyl)methyl alcohol
- 64-17-5
ethanol
A
- 60-29-7
diethyl ether
B
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| Amberlyst 15 at 125℃; for 1.16667h; Conversion of starting material; | A 4% B 89% |
| Amberlyst 46 at 125℃; for 0.55 - 1.1h; Conversion of starting material; | A 0.4% B 68% |
| Amberlyst 36 at 125℃; for 0.533333 - 1.11667h; Conversion of starting material; | A 1.2% B 60% |
| Purolite MN500 at 125℃; for 0.883333 - 1.16667h; Conversion of starting material; | A 0.4% B 38% |
What can I do for you?
Get Best Price
Specification
The Ethyl levulinate, with the CAS registry number 539-88-8, is also known as Levulinic acid, ethyl ester. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 208-728-2. This chemical's molecular formula is C7H12O3 and molecular weight is 144.17. What's more, its systematic name is Ethyl 4-oxopentanoate. Its classification codes are: (1)Natural Product; (2)Skin / Eye Irritant. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from acids, heat and fire.
Physical properties of Ethyl levulinate are: (1)ACD/LogP: 0.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.40; (4)ACD/LogD (pH 7.4): 0.40; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.34; (8)ACD/KOC (pH 7.4): 39.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 36.283 cm3; (15)Molar Volume: 144.685 cm3; (16)Polarizability: 14.384×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 77.919 °C; (20)Enthalpy of Vaporization: 44.174 kJ/mol; (21)Boiling Point: 205.499 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methoxy-2-methyl-cyclopropanecarboxylic acid ethyl ester at the ambient temperature. This reaction will need reagent conc. sulfuric acid and solvents acetone, H2O with the reaction time of 2 hours. The yield is about 93%.
Uses of Ethyl levulinate: it can be used to produce 4-phenylhydrazono-valeric acid ethyl ester by heating. The reaction time is 2 hours. The yield is about 89%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CCC(=O)OCC
(2)Std. InChI: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
(3)Std. InChIKey: GMEONFUTDYJSNV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 679, 1982. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 679, 1982. |