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Substance Name: Ethyl acetoacetate
RN: 141-97-9
UNII: IZP61H3TB1
InChIKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N
Classification Codes
- Drug / Therapeutic Agent
- Mutation Data
- Skin / Eye Irritant
Molecular Formula
- C6-H10-O3
Molecular Weight
- 130.142
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Ethyl acetoacetate
Synonyms
- 1-Ethoxybutane-1,3-dione
- 3-Oxobutanoic acid ethyl ester
- Acetoacetic acid, ethyl ester
- Acetoctan ethylnaty
- Acetoctan ethylnaty [Czech]
- Active acetyl acetate
- Active acetylacetate
- AI3-00066
- Butanoic acid, 3-oxo-, ethyl ester
- CCRIS 1343
- Diacetic ether
- EAA
- EC 205-516-1
- EINECS 205-516-1
- Ethyl 3-oxobutanoate
- Ethyl 3-oxobutyrate
- Ethyl acetoacetate
- Ethyl acetyl acetate
- Ethyl acetylacetate
- Ethyl acetylacetonate
- Ethyl beta-ketobutyrate
- Ethylacetacetat
- Ethylacetacetat [Czech]
- Ethylester kyseliny acetoctove
- Ethylester kyseliny acetoctove [Czech]
- FEMA No. 2415
- HSDB 402
- NSC 8657
- UNII-IZP61H3TB1
Systematic Names
- Acetoacetic acid, ethyl ester
- Butanoic acid, 3-oxo-, ethyl ester
- Ethyl acetoacetate
Superlist Names
- Acetoacetic acid, ethyl ester
- Butanoic acid, 3-oxo-, ethyl ester
- Ethyl acetoacetate
Registry Numbers
CAS Registry Number
- 141-97-9
FDA UNII
- IZP61H3TB1
System Generated Number
- 0000141979
Structure Descriptors
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-NSmiles
CCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 5105mg/kg (5105mg/kg) | Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1810, 1971. | |
| rabbit | LD | skin | > 20mL/kg (20mL/kg) | Union Carbide Data Sheet. Vol. 3/12/1969, | |
| rat | LD50 | oral | 3980mg/kg (3980mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.50E+01 | deg C | EXP | |
| Boiling Point | 180.8 | deg C | EXP | |
| log P (octanol-water) | 0.25 | (none) | EXP | |
| Water Solubility | 1.10E+05 | mg/L | 17 | EXP |
| Vapor Pressure | 0.78 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.20E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.98E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.