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: