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Molecule
Lactide
CAS: 95-96-5 · C6H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 95-96-5
- Molecular Formula
- C6H8O4
- Molecular Mass
- 144.13 g/mol
Identifiers
CAS Registry Number
95-96-5
SMILES
CC1OC(=O)C(C)OC1=O
InChI Key
JJTUDXZGHPGLLC-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
Names and Synonyms
- Lactide Synonym
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl- Synonym
- p-Dioxane-2,5-dione, 3,6-dimethyl- Synonym
- Lactide Synonym
- Lactic acid, bimol. cyclic ester Synonym
- 3,6-Dimethyl-1,4-dioxane-2,5-dione Synonym
- 3,6-Diketo-2,5-dimethyl-1,4-dioxane Synonym
- 3,6-Dimethyl-p-dioxane-2,5-dione Synonym
- 2,5-Dioxo-3,6-dimethyl-1,4-dioxane Synonym
- Propanoic acid, 2-hydroxy-, bimol. cyclic ester Synonym
- 3,6-Dimethyl-2,5-dioxo-1,4-dioxane Synonym
- 2,5-Dimethyl-3,6-dioxo-1,4-dioxane Synonym
- Dilactide Synonym
- DL-Lactide Synonym
- Lactoyl lactic acid Synonym
- Purasorb DL Synonym
- NSC 403080 Synonym
- rac-Lactide Synonym
- Novalact Synonym
- dl-Dilactide Synonym
- DL-Dilactide Synonym
- Dimethylglycolide Synonym
- D,L-Lactide Synonym
- Olygos DMR Synonym
- Ingeo M 700 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.13 g/mol | CAS Common Chemistry |
| 144.12599999999998 g/mol | RDKit | |
| 144.126 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(C(=O)OC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJTUDXZGHPGLLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129 °C | CAS Common Chemistry |
| Name | Lactide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | -0.13660000000000005 | RDKit |
| -0.1366 | RDKit | |
| Molar Refractivity | 31.10799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 144.042258736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 144.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8O4.
