Basic information
- CAS
2543-57-9- Standard SMILES
CC(=O)CCN(C)C- InChIKey
WQVAMFRPCWXWSS-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
Names & identifiers
- Preferred name
- 4-(Dimethylamino)butan-2-one
- IUPAC
- 4-(dimethylamino)butan-2-one
- English name
- 2-Butanone, 4-(dimethylamino)- (6CI,7CI,8CI,9CI)
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
4-(dimethylamino)butan-2-one2543-57-9RefChem:515971844-877-54-(Dimethylamino)-2-butanone2-Butanone, 4-(dimethylamino)-MFCD004573652-Butanone, 4-(dimethylamino)- (6CI,7CI,8CI,9CI)1-dimethylamino-3-butanone4-(dimethylamino)-2-butanone(SALTDATA: HCl)4-dimethylamino-2-butanone4-dimethylaminobutan-2-one
Show more names
4-Dimethylamino-butan-2-oneSCHEMBL519505SCHEMBL9030002CHEMBL24488734-(Dimethylamino)-2-butanone #ethane, 1-acetyl-2-dimethylamino-1-(N,N-dimethylamino)-3-butanoneALBB-011785
Database identifiers
- CAS
2543-57-9- PubChem CID
- 546913
- ChEMBL
CHEMBL2448873- EC Number
- 844-877-5
- Nikkaji
- J571.826K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.6
Experimental & physicochemical properties
Dissociation Constants8.4
Physicochemical properties
- Boiling point
- 50 · 50-52 °C(Press: 13 Torr)
- Density
- 0.8636 g/cm3 · 0.8636 g/cm3(Temp: 25 °C)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.88 · 8.88±0.28(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H226-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 2733 · UN2733
- HazardClass
- 3 · 3, 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (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 information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN2733
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_class
- 3, 8
- 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)
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-(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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers16 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
7 records
Compound notes
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