HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Dimethylamino)butan-2-one
4-(Dimethylamino)-2-butanone · 4-(dimethylamino)-2-butanone(SALTDATA: HCl) · 2-Butanone, 4-(dimethylamino)- (6CI,7CI,8CI,9CI)
Identifiers & Physical Properties
| CAS No. | 2543-57-9 |
|---|---|
| Molecular formula | C6H13NO |
| Average molar mass | 115.17 g/mol |
| SMILES | CC(=O)CCN(C)C |
| InChIKey | WQVAMFRPCWXWSS-UHFFFAOYSA-N |
| PubChem CID | 546913 |
| ChEMBL | CHEMBL2448873 |
| EC No. | 844-877-5 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 20.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 78.6 |
| Dissociation Constants | 8.4 |
| Boiling point | 50-52 °C(Press: 13 Torr) |
| Density | 0.8636 g/cm3(Temp: 25 °C) |
| Storage conditions | Inert atmosphere,Room Temperature |
| pKa (acidity coefficient) | 8.88±0.28(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| GHS pictogram | GHS07,GHS02 |
| Signal word | Warning |
| GHS hazard statements | H335-H319-H226-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| UN transport number | UN2733 |
| Hazard class | 3, 8 |
| 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 | WarningH226 (100%): Flammable liquid and vapor [Warning 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN transport number | UN2733 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS02 |
| Hazard class | 3, 8 |
| GHS hazard statements | H335-H319-H226-H315 |
| 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 | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
4-(dimethylamino)-2-Butanone is a useful building block extracted from volatile oil in Semen persicae-Flos carthami. 4-(dimethylamino)-2-Butanone is used as a component of lubricating oil used to improve the viscosity index and sludge dispersion properties of hydrogenated lithiated copolymers.