Ethyl acetoacetate

Modify Date: 2024-01-02 17:39:27

Ethyl acetoacetate Structure
Ethyl acetoacetate structure
Common Name Ethyl acetoacetate
CAS Number 141-97-9 Molecular Weight 130.142
Density 1.0±0.1 g/cm3 Boiling Point 180.6±8.0 °C at 760 mmHg
Molecular Formula C6H10O3 Melting Point −43 °C(lit.)
MSDS Chinese USA Flash Point 67.0±18.5 °C

 Use of Ethyl acetoacetate


Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[1][2][3]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[4].

 Names

Name Ethyl acetoacetate
Synonym More Synonyms

 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)

 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

 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%

 Articles37

More Articles
Hyperpolarized [1,3-13C2 ]ethyl acetoacetate is a novel diagnostic metabolic marker of liver cancer.

Int. J. Cancer 136(4) , E117-26, (2015)

An increased prevalence of liver diseases such as hepatitis C and nonalcoholic fatty liver results in an augmented incidence of the most common form of liver cancer, hepatocellular carcinoma (HCC). HC...

Quantitative fingerprinting of O-linked glycans released from proteins using isotopic coded labeling with deuterated 1-phenyl-3-methyl-5-pyrazolone.

J. Chromatogr. A. 1408 , 93-100, (2015)

Investigation of oligosaccharides attached to proteins as post-translational modification remains an important research field in the area of glycoproteomics as well as in biotechnology. The developmen...

Synthesis and electrochemical study of a hybrid structure based on PDMS-TEOS and titania nanotubes for biomedical applications.

Nanotechnology 25(36) , 365701, (2014)

Metallic implants and devices are widely used in the orthopedic and orthodontic clinical areas. However, several problems regarding their adhesion with the living tissues and inflammatory responses du...

 Synonyms

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
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