Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.
Definition
Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as an antibacterial agent, a flavouring agent and a plant metabolite. It is functionally related to an acetoacetic acid.
Source: PubChem
US FDA substance register · UNII IZP61H3TB1 · registered name Ethyl acetoacetate · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Official labels & definitions
JCIA labelling name アセト酢酸エチル: 本品は、次の化学式で表される有機化合物である。
Source: JCIA labelling names (Japan)
Names & identifiers
- CAS No.chemical registry number
- 141-97-9
- EC No.EU chemical inventory number
- 205-516-1
- DTXSIDUS EPA chemical ID
- DTXSID2027092
- DTXCIDUS EPA compound ID
- DTXCID207092
- IUPAC
- Ethyl 3-oxobutanoate
- Molecular formula
- C6H10O3
- Molecular weight
- 130.143 g/mol
Measured properties
- Appearance
- Ethyl acetoacetate appears as a colorless liquid with a fruity odor. Flash point 185 °F. Boiling point 365 °F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints. · Dry Powder, Liquid
- Odour
- PLEASANT GREEN, FRUITY, RUM ODOR
- Boiling point
- 363 °F at 760 mmHg (USCG, 1999) · 180.8 °C AT 760 MM HG
- Melting point
- less than -112 °F (USCG, 1999) · -45 °C
- Solubility
- SOL IN ABOUT 35 PARTS WATER · SOL IN BENZENE, & CHLOROFORM, MISCIBLE WITH ETHER, & ACETONE
- Density
- 1.028 at 68 °F (USCG, 1999) - Denser than water, will sink · 1.0282 AT 20 °C/4 °C
- Colour
- colourless
- Melting/freezing point
- -45 ℃
- Initial boiling point and range
- 181 ℃
- Flash point
- 70 ℃
- Upper/lower flammability or explosive limits
- 54.0 / 1.0 %
- Vapour pressure
- 0.78 ㎜Hg (at 25C)
- Water solubility
- 110000 ㎎/ℓ (at 17C)
- Vapour density
- 4.48 ()
- Relative density
- 1.0250 ()
- n-Octanol/water partition coefficient (Kow)
- 0.25
- Auto-ignition temperature
- 295 ℃
- Molecular weight
- 130.1
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 93 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance85
- Solvent3
- Flavouring and nutrient3
- Intermediate2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
5 skin studies and 3 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 8 studies
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: DOT (Transport-Classification) Guideliens according to - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) of 12 May 1981 (Footpad method) - Classification not possible
Skin Sensitization · Screening - Not classified
Skin Irritation · Screening - Category 2B
Eye Irritation · Screening - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Related literature
- Pyrazolones as a potential anticancer scaffold: Recent trends and future perspectives · 2021
- Synthesis and characterization of new 4H-chromene-3-carboxylates ensuring potent elastase inhibition activity along with their molecular docking and chemoinformatics properties. · 2020
- Scientific Opinion on the safety and efficacy of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones (chemical group 9) when used as flavourings for all animal species · 2012
Linked databases 19
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- JCIA labelling names (Japan)
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese