4-Dimethylamino-3-methyl-2-butanone
Basic information
- CAS
22104-62-7- Standard SMILES
CC(=O)C(C)CN(C)C- InChIKey
SDABKFFSTRDBBD-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 4-Dimethylamino-3-methyl-2-butanone
- IUPAC
- 4-(dimethylamino)-3-methylbutan-2-one
- English name
- 1-Dimethylamino-2-methylbutane-3-one
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
22104-62-74-(Dimethylamino)-3-methylbutan-2-one4-Dimethylamino-3-methyl-2-butanone2-Butanone, 4-(dimethylamino)-3-methyl-EINECS 244-782-3PQ2U433BB7DTXSID50222752-METHYL-1-(DIMETHYLAMINO)-3-BUTANONE1-DIMETHYLAMINO-2,3-DIMETHYLPROPAN-3-ONERefChem:522522DTXCID7022754-(Dimethylamino)-3-methyl-2-butanone
Show more names
1-N,N-DIMETHYLAMINO-2-METHYL BUTAN-3-ONE1-DIMETHYLAMINO-2-METHYLBUTANE-3-ONE（DMAB）1-Dimethylamino-2-methylbutan-3-one or 4-(Dimethylamino)-3-methylbutan-2-one
1-Dimethylamino-2-methylbutan-3-one3-methyl-4-dimethylamino-2-butanone1-DIMETHYLAMINO-2-METHYLBUTANE-3-ONEUNII-PQ2U433BB7SCHEMBL882232AKOS006282834AS-96251NS00027057
Database identifiers
- CAS
22104-62-7- PubChem CID
- 90732
- DTXSID
DTXSID5022275- UNII
- PQ2U433BB7
- EC Number
- 244-782-3
- Nikkaji
- J267.204I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 103 · 103-104 °C(Press: 12 Torr)
- Density
- 0.868 · 0.868±0.06 g/cm3(Predicted)
- pka
- 8.89 · 8.89±0.28(Predicted)
- FDA UNII
- 2 U433BB7 · PQ2U433BB7
- EPA Substance Registry System
- 4 · 4-Dimethylamino-3-methyl-2-butanone (22104-62-7)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H314-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-(dimethylamino)-3-methylbutan-2-one (EC: 244-782-3)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS05
- Hazard statements
- H226-H302-H314-H312
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butanone, 4-(dimethylamino)-3-methyl-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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