Ethyl acetoacetate

Modify Date: 2025-08-20 10:55:25

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].

Name	Ethyl acetoacetate
Synonym	More Synonyms

Description	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].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
References	[1]. Rao M.Uppu, et al. Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids. Biochemical and Biophysical Research Communications. 1996 Dec; 229(3):764-769. [2]. Leo F. Salter, et al. A dual‐frequency Belousov Zhabotinskii oscillating reaction with ethyl acetoacetate as organic substrate. substrate. International Journal of Chemical Kinetics. 1982. 14(8), 815–821. [3]. Iqbal S, et al. 2-Oxo-1,2,3,4-tetrahydropyrimidines Ethyl Esters as Potent β- Glucuronidase Inhibitors: One-pot Synthesis, In vitro and In silico Studies. Med Chem. 2018;14(8):818-830. [4]. Horne SM, et al. Acetoacetate and ethyl acetoacetate as novel inhibitors of bacterial biofilm. Lett Appl Microbiol. 2018 Apr;66(4):329-339.

Description

Related Catalog

Research Areas >> Others

Signaling Pathways >> Others >> Others

References

[1]. Rao M.Uppu, et al. Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids. Biochemical and Biophysical Research Communications. 1996 Dec; 229(3):764-769.

[2]. Leo F. Salter, et al. A dual‐frequency Belousov Zhabotinskii oscillating reaction with ethyl acetoacetate as organic substrate. substrate. International Journal of Chemical Kinetics. 1982. 14(8), 815–821.

[3]. Iqbal S, et al. 2-Oxo-1,2,3,4-tetrahydropyrimidines Ethyl Esters as Potent β- Glucuronidase Inhibitors: One-pot Synthesis, In vitro and In silico Studies. Med Chem. 2018;14(8):818-830.

[4]. Horne SM, et al. Acetoacetate and ethyl acetoacetate as novel inhibitors of bacterial biofilm. Lett Appl Microbiol. 2018 Apr;66(4):329-339.

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
InChIKey	XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(C)=O
Stability	Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible.
Water Solubility	116 g/L (20 ºC)

Ethyl acetoacetate MSDS(Chinese)

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)

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

Precursor 10
CAS#:64-17-5 Ethanol CAS#:105-45-3 Methyl acetoacetate CAS#:614-18-6 Ethyl nicotinate CAS#:141-78-6 ethyl acetate
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CAS#:6924-68-1 Ethyl 2-pyrazin... CAS#:54013-04-6 Ethyl 5-chloro-...
DownStream 10
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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%

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...

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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