3-Oxo-N-phenylbutanamide

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Names

[ CAS No. ]:
102-01-2

[ Name ]:
3-Oxo-N-phenylbutanamide

[Synonym ]:
acetoacetamidobenzene
Linazol
Coupler 633
Acetoacetanilide
a-Acetylacetanilide
usafek-1239
2-acetylacetanilide
Acetoacetanilid
MFCD00008780
1V1VMR
N-(Acetylacetyl)aniline
N-Phenyl-3-ketobutanamide
AAA
Cetoactanilide
EINECS 202-996-4
(1E)-3-Oxo-N-phenylbutanimidic acid
b-Ketobutyranilide
acetoacetylaminobenzene
3-Oxo-N-phenylbutanamide
Butanamide, 3-oxo-N-phenyl-
Butanimidic acid, 3-oxo-N-phenyl-, (1E)-
acetoacetic anilide
AAN
acetoacetyl-phenylamine
Acetoacetonilide
1-(N-phenylcarbamyl)propan-2-one

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
329.0±44.0 °C at 760 mmHg

[ Melting Point ]:
83-88 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₁NO₂

[ Molecular Weight ]:
177.200

[ Flash Point ]:
152.8±28.4 °C

[ Exact Mass ]:
177.078979

[ PSA ]:
46.17000

[ LogP ]:
1.43

[ Vapour density ]:
6.1 (vs air)

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.532

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
5 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK4200000

CHEMICAL NAME :: Acetoacetanilide

CAS REGISTRY NUMBER :: 102-01-2

LAST UPDATED :: 199806

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C10-H11-N-O2

MOLECULAR WEIGHT :: 177.22

WISWESSER LINE NOTATION :: 1V1VMR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533750

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533572

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(1),49,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(1),49,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534808-1

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3925 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(1),49,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533572 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14024 mg/kg/14D-C

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533572 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84311 No. of Facilities: 53 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1062 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84311 No. of Facilities: 50 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1108 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R21/22

[ Safety Phrases ]:
S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
AK4200000

[ HS Code ]:
2924299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

tert-Butyl acetoacetate
Methyl acetoacetate
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Ethyl acetoacetate
DIAZOACETONE
carbon monoxide

DownStream

1,1,3,3-Tetrabutylurea
Urea,N,N-dibutyl-N'-phenyl-
2-chloro-3-oxo-n-phenylbutanamide
2,4-dimethyl-6-oxo-N,1-diphenylpyridine-3-carboxamide
4-methylquinolin-2-ol
ethyl 4-methyl-2-oxoquinoline-1-carboxylate
2-[bis(methylsulfanyl)methylidene]-3-oxo-N-phenylbutanamide
3-Methyl-3-pyrazolin-5-one
4-oxo-N-phenylpentanamide

Customs

[ HS Code ]: 2924299090

[ Summary ]:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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