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Acetoacetamide

Acetoacetamide structure

CAS No:
5977-14-0
Formula:
C4H7NO2
Chemical Name:
Acetoacetamide
Synonyms:
Butanamide,3-oxo-;Acetoacetamide;3-Oxobutanamide;α-Acetylacetamide;Acetylacetamide;Acetoacetic acid amide;NSC 632231;3-Oxobutyramide
Categories:
Organic Chemistry > Amides

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Description

White to yellowish crystals

Liquid; OtherSolid

Acetoacetamide is a monocarboxylic acid amide of acetoacetic acid. It derives from an acetoacetic acid.

Acetoacetamide Basic Attributes

Molecular Weight：

101.1

Exact Mass：

101.10

EC Number：

227-774-4

UNII：

6O9U7CFY0T

NSC Number：

632231

DSSTox ID：

DTXSID1040164

HScode：

2924199090

Characteristics

PSA：

60.2

XLogP3：

-1.15

Appearance：

white to yellowish Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

48 °C

Boiling Point：

198.1±42.0 °C at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.474

Water Solubility：

water: soluble 1g/10 mL, clear, colorless

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

EJ3667188

Acetoacetamide Use and Manufacturing

Methods of Manufacturing

The glacial acetic acid is cracked into ketene, and the ketene is polymerized to form diketene, which is then ammoniated with ammonia to obtain acetoacetamide. Raw material consumption quota: glacial acetic acid (95%) 1638kg/t, ammonia water (20%) 950kg/t.

Uses

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

Intermediates

Laundry and dishwashing products

Manufacturing Info：

Synthetic dye and pigment manufacturing|Butanamide, 3-oxo-: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Acetoacetamide is a known environmental transformation product of Hymexazol.

Computed Properties

Molecular Weight:101.10
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:101.047678466
Monoisotopic Mass:101.047678466
Topological Polar Surface Area:60.2
Heavy Atom Count:7
Complexity:97.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl acetoacetate

Ammonia

Downstream Products

Acesulfame potassium

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