Acetoacetanilide

Description

Acetoacetanilide · CAS 102-01-2 · C10H11NO2. UNII W35JB9PY3X. Melting Point: 187 °F (NTP, 1992); Melting Point: 86 °C; Flash Point: 325 °F (NTP, 1992).

Identification

CAS Registry Number	102-01-2
PubChem CID	7592
Molecular formula	C10H11NO2
IUPAC name	3-oxo-N-phenylbutanamide
UNII (FDA)	W35JB9PY3X

Computed Descriptors

Molecular Weight	177.20
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	46.2
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	187 °F (NTP, 1992)
Melting Point	86 °C
Flash Point	325 °F (NTP, 1992)
Flash Point	162.7 °C
Flash Point	365 °F; 185 °C (OPEN CUP)
Density	1.26 g/ml at 20 °C
Vapor Pressure	0.01 mmHg at 68 °F (NTP, 1992)
Vapor Pressure	0.01 [mmHg]
Vapor Pressure	5.2X10-5 mm Hg at 25 °C
LogP	1.04

Physical description & handling notes

• Acetoacetanilide is a white crystalline solid. (NTP, 1992)
• CBI; Dry Powder
• White solid; [Hawley] White, odorless crystalline powder; [Alfa Aesar MSDS]
• WHITE CRYSTALLINE SOLID
• PLATES OR NEEDLES FROM BENZENE OR PETROLEUM ETHER
• Decomposes (NTP, 1992)

Regulatory Status

GHS notification summary	2.5% (12 / 477)

GHS Hazard Classification

GHS notification summary	2.5% (12 / 477)
Reported hazard statements	H302 (97.3%), H312 (94.1%), H332 (86.2%), H373 (86%)

Documented Uses

• Used in rubber compounding and in manufacturing other chemicals (hansa yellow dyes, benzidine yellow pigments, the fungicides carboxin and methfuroxam, and pyrazolones and pyrimidines); [HSDB]
• MFR OF YELLOW DYES, SUCH AS HANSA & BENZIDINE YELLOWS; IN RUBBER COMPOUNDING; IN ORG SYNTHESES
• ACETOACETANILIDE IS USED AS THE INTERNAL STANDARD IN THIS METHOD.
• Used as a chemical intermediate for the synthesis of: carboxin; Pigment Orange 15; Pigment Orange 16; Pigment Yellow 1; Pigment Yellow 4; Pigment Yellow 5; Pigment Yellow 12; Solvent Yellow 19.
• Used in production of the fungicides carboxin and methfuroxam.
• Intermediate for pyrazolones and pyrimidines; Hansa yellows; benzidine yellow pigments.

Synonyms

ACETOACETANILIDE; 102-01-2; 3-Oxo-N-phenylbutanamide; Butanamide, 3-oxo-N-phenyl-; Acetoacetic anilide; Acetylacetanilide; Acetoacetamidobenzene; N-Phenylacetoacetamide; Acetoacetic acid anilide; Acetoacetylaniline; Acetoacetanilid; N-(Acetylacetyl)aniline; Acetanilide, 2-acetyl-; USAF EK-1239; beta-Ketobutyranilide; 1-(Phenylcarbamoyl)-2-propanone

Frequently Asked Questions

What are the CAS number and molecular formula of Acetoacetanilide?

CAS 102-01-2; molecular formula C10H11NO2; molecular weight — g/mol.

What other names is Acetoacetanilide known by?

ACETOACETANILIDE, 102-01-2, 3-Oxo-N-phenylbutanamide, Butanamide, 3-oxo-N-phenyl-, Acetoacetic anilide, Acetylacetanilide.

Is Acetoacetanilide classified as hazardous?

2.5% of GHS notifications report no hazard classification (12 of 477).

What are the key physical properties of Acetoacetanilide?

Melting Point: 187 °F (NTP, 1992); Melting Point: 86 °C; Flash Point: 325 °F (NTP, 1992); Flash Point: 162.7 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.