HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dimethylformamide diethylacetal
N,N-DIMETHYLFORMAMIDE DIETHYL ACETAL · 1,1-Diethoxy-N,N-dimethylmethanamine · N,N-Dimethyformamide · Dimethylformamide diethyl acetal · Diethoxy-N,N-dimethylmethanamine · DMF-DIETHYLACETAL · formamide diethyL · Flumazenil EP Impurity C
Identifiers & Physical Properties
| CAS No. | 1188-33-6 |
|---|---|
| Molecular formula | C7H17NO2 |
| Average molar mass | 147.22 g/mol |
| Monoisotopic mass | 147.12592878 g/mol |
| SMILES | CCOC(OCC)N(C)C |
| InChIKey | BWKAYBPLDRWMCJ-UHFFFAOYSA-N |
| PubChem CID | 70913 |
| EC No. | 214-707-9 |
| DTXSID | DTXSID5061584 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 21.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 70 |
| Chemical classes | Nitrogen Compounds -> Other Nitrogen Compounds |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Melting point | 178-180 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 170 °C(lit.) |
| Density | 0.859 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.411(lit.) |
| Flash point | 72 °F |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 5.31±0.50(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Light yellow |
| Specific gravity | 0.861 (20/4℃) |
| Sensitivity | Moisture Sensitive |
| BRN | 741889 |
| Stability | Moisture Sensitive |
| InChI | 1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3 |
| InChIKey | BWKAYBPLDRWMCJ-UHFFFAOYSA-N |
| SMILES | CCOC(OCC)N(C)C |
| CAS DataBase Reference | 1188-33-6(CAS DataBase Reference) |
| FDA UNII | QOJ5HYK225 |
| NIST Chemistry Reference | N,N-Dimethylformamide diethylacetal(1188-33-6) |
| EPA Substance Registry System | Methanamine, 1,1-diethoxy-N,N-dimethyl- (1188-33-6) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS02 |
| Signal word | Warning |
| GHS hazard statements | H226 |
| GHS precautionary statements | P210-P370+P378 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Flam. Liq. 3 |
| Packing group | II |
| Customs code | 29225000 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH225 (12.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | N,N-Dimethylformamide diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin and strong eye irritant[Sigma-Aldrich MSDS] See N,N-Dimethylformamide dimethyl acetal. |
| Hazard Classes and Categories | Flam. Liq. 2 (12.8%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29225000 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Hazard class | 3Flam. Liq. 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| GHS hazard statements | H226 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P370+P378 |
Applications & Uses
Uses
N,N-Dimethylformamide diethyl acetal was used in quantification of cocaine and its primary metabolite, benzoyl ecgonine from urine matrix by gas chromatography.
Uses
N,N-Dimethylformamide diethyl acetal is a suitable reagent for the esterification of fatty acids. It is suitable reagent used in the quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas chromatography.
General Description
N,N-Dimethylformamide diethyl acetal undergoes Me3SiCl-mediated three-component coupling reaction with alkyne to yield 2,3,4,5-tetrasubstituted pyridine derivatives.