Ethyl acetoacetate

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Names

[ CAS No. ]:
141-97-9

[ Name ]:
Ethyl acetoacetate

[Synonym ]:
Ethyl 3-oxobutanoate
Butanoic acid, 3-oxo-, ethyl ester
ethylacetoacetate
3-Oxobutyric acid ethyl ester
3-Oxobutanoic acid, ethyl ester
EINECS 205-516-1
acetoacetic acid ethyl ester
Ethyl 3-oxobutyrate
MFCD00009199
ETHYL ACETYLACETATE
ethyl 3-oxo-butyrate
ACETOACETIC ESTER

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
180.6±8.0 °C at 760 mmHg

[ Melting Point ]:
−43 °C(lit.)

[ Molecular Formula ]:
C₆H₁₀O₃

[ Molecular Weight ]:
130.142

[ Flash Point ]:
67.0±18.5 °C

[ Exact Mass ]:
130.062988

[ PSA ]:
43.37000

[ LogP ]:
0.72

[ Vapour density ]:
4.48 (vs air)

[ Vapour Pressure ]:
0.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.408

[ Stability ]:
Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible.

[ Water Solubility ]:
116 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK5250000

CHEMICAL NAME :: Acetoacetic acid, ethyl ester

CAS REGISTRY NUMBER :: 141-97-9

LAST UPDATED :: 199701

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C6-H10-O3

MOLECULAR WEIGHT :: 130.16

WISWESSER LINE NOTATION :: 2OV1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3980 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5105 mg/kg

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

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >20 mL/kg

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

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 21 mg/disc

REFERENCE :: OIGZDE Osaka-shi Igakkai Zasshi. Journal of Osaka City Medical Association. (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho, Abeno-ku, Osaka, 545, Japan) V.24- 1975- Volume(issue)/page/year: 34,267,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84283 No. of Facilities: 49 (estimated) No. of Industries: 2 No. of Occupations: 16 No. of Employees: 2518 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84283 No. of Facilities: 678 (estimated) No. of Industries: 10 No. of Occupations: 9 No. of Employees: 6334 (estimated) No. of Female Employees: 1863 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26-S24/25

[ RIDADR ]:
UN 1993

[ WGK Germany ]:
1

[ RTECS ]:
AK5250000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Ethanol
Methyl acetoacetate
Ethyl nicotinate
ethyl acetate
Ethyl isonicotinate
Ethyl 2-chloro-4-methylthiazole-5-carboxylate
ethyl isoquinoline-1-carboxylate
Ethyl 2-pyrimidinecarboxylate
Ethyl 2-pyrazinecarboxylate
Ethyl 5-chloro-2-pyrazinecarboxylate

DownStream

3-Oxo-2-(2-phenylhydrazono)butanoic acid ethyl ester
4-Nitrophenol
1,4-diacetyl-3-hydroxy-2H-pyrrol-5-one
ethyl 1-hydroxybenzimidazole-2-carboxylate
2-acetylanthracene-9,10-dione
7-methoxy-1,4-dimethylquinolin-2-one
N-butyl-3-oxobutanamide
3-acetylbenzo[g]chromen-2-one
6-Amino-3-methyl-4-(4-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole -5-carbonitrile
1-(1,3-benzothiazol-2-yl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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