DL-Lactide

The DL-Lactide with CAS registry number of 95-96-5 is also known as 3,6-Dimethyl-2,5-dioxo-1,4-dioxane. The IUPAC name is 3,6-Dimethyl-1,4-dioxane-2,5-dione. It belongs to product categories of Dioxanes; Dioxanes & Dioxolanes; Functional Materials; Lactones & Lactides (for High-Performance Polymer Research); Reagent for High-Performance Polymer Research. Its EINECS registry number is 202-468-3. In addition, the formula is C₆H₈O₄ and the molecular weight is 144.13. What's more, this chemical is a white crystalline powder and it is prepared by dehydration of D,L-lactic acid in the presence of a catalyst.

Physical properties about DL-Lactide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.003; (5)ACD/KOC (pH 7.4): 4.003; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 52.6 Å²; (10)Index of Refraction: 1.429; (11)Molar Refractivity: 31.335 cm³; (12)Molar Volume: 121.519 cm³; (13)Polarizability: 12.422×10^-24cm³; (14)Surface Tension: 31.383 dyne/cm; (15)Density: 1.186 g/cm³; (16)Flash Point: 150.578 °C; (17)Enthalpy of Vaporization: 52.452 kJ/mol; (18)Boiling Point: 285.469 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25 °C.

Uses of DL-Lactide: it is used to produce 2-hydroxy-propionic acid 1-(1-phenyl-ethoxycarbonyl)-ethyl ester by reaction with 1-phenyl-ethanol. The reaction occurs with reagent DMAP at the temperature of 35 °C. The yield is about 100%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: CC1C(=O)OC(C(=O)O1)C
2. InChI: InChI=1/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
3. InChIKey: JJTUDXZGHPGLLC-UHFFFAOYAX
4. Std. InChI: InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
5. Std. InChIKey: JJTUDXZGHPGLLC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Food and Chemical Toxicology. Vol. 37, Pg. 335, 1999.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 37, Pg. 335, 1999.