CAS 102-01-2|3-Oxo-N-phenylbutanamide

Introduction:Basic information about CAS 102-01-2|3-Oxo-N-phenylbutanamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Oxo-N-phenylbutanamide
CAS Number102-01-2Molecular Weight177.200
Density1.1±0.1 g/cm3Boiling Point329.0±44.0 °C at 760 mmHg
Molecular FormulaC10H11NO2Melting Point83-88 °C(lit.)
MSDSChineseUSAFlash Point152.8±28.4 °C
Symbol
GHS07
Signal WordWarning

Names

NameAcetoacetanilide
SynonymMore Synonyms

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point329.0±44.0 °C at 760 mmHg
Melting Point83-88 °C(lit.)
Molecular FormulaC10H11NO2
Molecular Weight177.200
Flash Point152.8±28.4 °C
Exact Mass177.078979
PSA46.17000
LogP1.43
Vapour density6.1 (vs air)
Vapour Pressure0.0±0.8 mmHg at 25°C
Index of Refraction1.532
InChIKeyDYRDKSSFIWVSNM-UHFFFAOYSA-N
SMILESCC(=O)CC(=O)Nc1ccccc1
StabilityStable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility5 g/L (20 ºC)

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 WordWarning
Hazard StatementsH302-H312
Precautionary StatementsP280
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn:Harmful
Risk PhrasesR21/22
Safety PhrasesS36
RIDADRNONH for all modes of transport
WGK Germany1
RTECSAK4200000
HS Code2924299090

Customs

HS Code2924299090
Summary2924299090. 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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Synonyms

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
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