HuagongsheHuagongshe Chemistry Print Report · For research reference only
Glutamic acid diethyl ester
glutamic acid diethyl ester · Diethyl glutamate · Diethyll-glutamate · Glutamic acid diethyl · GLUTAMATEDIETHYLESTER · Glutamyl diethyl ester · L-Glutamic acid diethyl · DIETHYL GLUTAMATE USP/EP/BP
Identifiers & Physical Properties
| CAS No. | 16450-41-2 |
|---|---|
| Molecular formula | C9H17NO4 |
| Average molar mass | 203.24 g/mol |
| Monoisotopic mass | 203.11575802 g/mol |
| SMILES | CCOC(=O)CC[C@H](N)C(=O)OCC |
| InChIKey | HERPVHLYIHBEFW-ZETCQYMHSA-N |
| PubChem CID | 73961 |
| EC No. | 637-244-8 |
| DTXSID | DTXSID90167772 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 78.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 193 |
| Cosmetics | AntistaticHair conditioning |
| Melting point | 114-116 °C |
| Boiling point | 120-123 °C(Press: 7 Torr) |
| Density | 1.080±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.12±0.35(Predicted) |
| Cosmetics Ingredients Functions | HAIR CONDITIONINGSKIN CONDITIONINGANTISTATIC |
| EWG's Food Scores | 1 |
| FDA UNII | 54QM1L3N85 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
Applications & Uses
Uses
Diethyl glutamate has been attributed synergistic effect upon fragrance mixtures (perfume compositions, etc.). A French patent covers its use as a fragrance-enhancing additive, but experiments seem to confirm that the material is not a universal synergist.
Preparation & Synthesis
Preparation
From L-alpha-Glutamic acid, by esterification.