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Lactide
CAS: 95-96-5 | C6H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-96-5
Molecular Formula:
C6H8O4
Molecular Weight:
144.12599999999998 g/mol
Names and Synonyms:
Lactide
1,4-Dioxane-2,5-dione, 3,6-dimethyl-
p-Dioxane-2,5-dione, 3,6-dimethyl-
Lactide
Lactic acid, bimol. cyclic ester
3,6-Dimethyl-1,4-dioxane-2,5-dione
3,6-Diketo-2,5-dimethyl-1,4-dioxane
3,6-Dimethyl-p-dioxane-2,5-dione
2,5-Dioxo-3,6-dimethyl-1,4-dioxane
Propanoic acid, 2-hydroxy-, bimol. cyclic ester
3,6-Dimethyl-2,5-dioxo-1,4-dioxane
2,5-Dimethyl-3,6-dioxo-1,4-dioxane
Dilactide
DL-Lactide
Lactoyl lactic acid
Purasorb DL
NSC 403080
rac-Lactide
Novalact
dl-Dilactide
DL-Dilactide
Dimethylglycolide
D,L-Lactide
Olygos DMR
Ingeo M 700
Identifiers:
SMILES:
CC1OC(=O)C(C)OC1=O
InChI:
InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.12599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.042258736 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.6 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.13660000000000005 | RDKit |
| molecular_mass | 144.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OC(C(=O)OC1C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JJTUDXZGHPGLLC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 129 °C None | Legacy Database |
| cas-name | Lactide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.10799999999999 | RDKit |
