N,N-Dimethyl-3-oxobutyramid

Dimethylacetoacetamide

HCID 16278CAS 2044-64-6

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Grundinformationen

Standard-SMILES: CC(=O)CC(=O)N(C)C
InChIKey: YPEWWOUWRRQBAX-UHFFFAOYSA-N
Summenformel: C6H11NO2
Durchschnittliche Molmasse: 129,16 g/mol
Monoisotopische Masse: 129,07897859

Überblick

used in the production of polyester resins and insecticides; also used in hair colorants; structure in first source

Namen und Bezeichner

Bevorzugter Name: Dimethylacetoacetamide
IUPAC: N,N-dimethyl-3-oxobutanamide
Lokaler Name: N,N-Dimethyl-3-oxobutyramid
Englischer Name: N,N-Dimethylacetoacetamide
Summenformel: C6H11NO2
Molmasse: 129.16

Namen und Synonyme

N,N-DimethylacetoacetamideN,N-Dimethyl-3-oxobutanamide2044-64-6Butanamide, N,N-dimethyl-3-oxo-dimethylacetoacetamideACETOACETAMIDE, N,N-DIMETHYL-DTXSID80274547E2L0OAA4KNSC-524755DTXCID607454DMAAm cpdRefChem:161274

Weitere Namen anzeigen

DMAADMAA80Fanda DMAAFanda DMAA 80%DMAA 80% in H2OAKOS BBS-00006508TIMTEC-BB SBB007704N,N-Dimethylacetoace

218-059-8N,N-Dimethyl-3-oxobutyramideAcetylacetamide, N,N-dimethyl-MFCD00038243Dimethylamid kyseliny acetoctoveN-AcetoacetyldimethylamineCAS-2044-64-6dimethyl acetoacetamide

Datenbank-Bezeichner

CAS: 2044-64-6
PubChem CID: 16278
DTXSID: DTXSID8027454
ChEMBL: CHEMBL3185062
UNII: 7E2L0OAA4K
EC Number: 218-059-8
Nikkaji: J26.749J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 129

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -55 °C · -55 °C
Siedepunkt: 105 °C · 105 °C(lit.)
Dichte: 1.067 g/mL · 1.067 g/mL at 25 °C
Dampfdruck: 19.84 hPa · 19.84hPa at 25℃
Brechungsindex: 20 · n20/D 1.447
Flammpunkt: 252 °F · 252 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: soluble
Aggregatzustand: clear liquid
pka: 12.82 · 12.82±0.46(Predicted)
Farbe: 350 · APHA: ≤350
Wasserlöslichkeit: hydrolysis SLOWLY
BRN: 1755038 · 1755038
InChI: 1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
InChIKey: YPEWWOUWRRQBAX-UHFFFAOYSA-N
SMILES: CN(C)C(=O)CC(C)=O
LogP: 0.91 at · 0.91 at 25℃
CAS Datenbank: 2044 · 2044-64-6(CAS DataBase Reference)
NIST chemische Informationen: N,N-Dimethylacetoacetamide(2044-64-6)
EPA chemische Informationen: -3 · Butanamide, N,N-dimethyl-3-oxo- (2044-64-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 87.1% (175 of 201) of all reports.

Warning

H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 201 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Butanamide, N,N-dimethyl-3-oxo-

Butanamide, N,N-dimethyl-3-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, N,N-dimethyl-3-oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12755

Butanamide, N,N-dimethyl-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)