ChemicalBook--->CAS DataBase List--->5977-14-0

5977-14-0

5977-14-0 Structure

5977-14-0 Structure
IdentificationMore
[Name]

Acetoacetamide
[CAS]

5977-14-0
[Synonyms]

ACETOACETAMIDE
3-oxo-butanamid
3-oxobutanamide
3-oxo-Butanamide
acetoaceticacidamide
Acetylacetamide
alpha-acetylacetamide
Acetyl acetomide
ACETOACETAMIDE PURUM
ACETIACETAMIDE
acetessigsaureamid
Acetoacetamid
3-Oxobutyramide
β-Oxobutanamide
[EINECS(EC#)]

227-774-4
[Molecular Formula]

C4H7NO2
[MDL Number]

MFCD00025528
[Molecular Weight]

101.1
[MOL File]

5977-14-0.mol
Chemical PropertiesBack Directory
[Appearance]

White to yellowish crystals
[Melting point ]

53-56 °C(lit.)
[Boiling point ]

271.0±23.0 °C(Predicted)
[density ]

1.093±0.06 g/cm3(Predicted)
[vapor pressure ]

0.93Pa at 20℃
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[solubility ]

water: soluble1g/10 mL, clear, colorless
[form ]

Crystalline Powder
[pka]

12.38±0.46(Predicted)
[color ]

white to yellowish
[Water Solubility ]

1000g/L at 20℃
[Usage]

Acetoacetamide is used as intermediate for different organic syntheses, mainly organic dyestuffs. Product Data Sheet
[BRN ]

1560550
[InChI]

1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
[InChIKey]

GCPWJFKTWGFEHH-UHFFFAOYSA-N
[SMILES]

CC(=O)CC(N)=O
[LogP]

-1.4 at 23℃
[CAS DataBase Reference]

5977-14-0(CAS DataBase Reference)
[EPA Substance Registry System]

5977-14-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

1
[RTECS ]

EJ3667188
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetyl ketene-->ketene
[Preparation Products]

5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one-->Acesulfame potassium-->PHOSPHAMIDON-->1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one-->2-Aminoimidazole-->Acesulfame-->3-Hydroxybutyronitrile-->3-acetyl-6-methylpyridin-2(1H)-one
Hazard InformationBack Directory
[Chemical Properties]

White to yellowish crystals
[Uses]

Acetoacetamide was used in a study to assess the stability of artificial sweeteners- aspartame, acesulfame-K and binary sweetener blend of aspartame x acesulfame-K during storage. Acetoacetamide was also used in analysis of multiple sweeteners and their degradation products in lassi by HPLC.
[Uses]

Acetoacetamide is used as intermediate for different organic syntheses, mainly organic dyestuffs. Product Data Sheet
[Definition]

ChEBI: Acetoacetamide is a monocarboxylic acid amide of acetoacetic acid. It is functionally related to an acetoacetic acid.
[General Description]

Acetoacetamide is a degradation product of acesulfame-K, sweetener. Acetoacetamide undergoes alkaline hydrolysis to form salt of acetoacetic acid.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Recrystallise the amide from CHCl3, or Me2CO/pet ether. It also crystallises from pyridine with 4mols of solvent. It is slightly soluble in H2O, EtOH and AcOH but is insoluble in Et2O. The phenylhydrazone has m 128o. [Kato Chem Pharm Bull Jpn 15 921 923 1967, Claisen & Meyer Chem Ber 35 583 1902, Beilstein 3 H 659, 3 I 231, 3 III 1204, 3 IV 1545.]
Spectrum DetailBack Directory
[Spectrum Detail]

Acetoacetamide(5977-14-0)1HNMR
Acetoacetamide(5977-14-0)Raman
Acetoacetamide(5977-14-0)IR
Acetoacetamide(5977-14-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5977-14-0(sigmaaldrich)
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