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| CAS No.: | 95-96-5 |
|---|---|
| Name: | DL-Lactide |
| Molecular Structure: | |
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| Formula: | C6H8O4 |
| Molecular Weight: | 144.127 |
| Synonyms: | 3,6-Dimethyl-1,4-dioxane-2,5-dione;3,6-Dimethyl-2,5-dioxo-1,4-dioxane;Propanoic acid, 2-hydroxy-, bimol. cyclic ester;Lactic acid, bimol. cyclic ester;1,4-Dioxane-2,5-dione, 3,6-dimethyl-;p-Dioxane-2,5-dione, 3,6-dimethyl- (8CI);NSC 403080;Dilactide;Lactide; |
| EINECS: | 202-468-3 |
| Density: | 1.186 g/cm3 |
| Melting Point: | 116-119 °C |
| Boiling Point: | 285.5 °C at 760 mmHg |
| Flash Point: | 150.6 °C |
| Solubility: | 16.3g/L at 20℃ |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 52.60000 |
| LogP: | -0.13660 |
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Specification
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. |