Ethyl Acetoacetate
fo-7e288677e7e1ca2c
Identity
- Type
- Neutral molecule
- CAS
- 141-97-9
- EC
- 205-516-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
22- 1-ethoxybutane-1,3-dione
- 3-ketobutyric acid ethyl ester
- 3-oxobutanoic acid ethyl ester
- 3-oxobutyric acid ethyl ester
- acetoacetic acid ethyl ester
- Acetoacetic acid, ethyl ester
- Acetylacetic acid ethyl ester
- active acetyl acetate
- Butanoic acid, 3-oxo-, ethyl ester
- diacetic ether
- EAA
- Ethyl 2-acetoacetate
- Ethyl 2-methyl-3-oxopropionate
- Ethyl 3-ketobutyrate
- ethyl 3-oxidanylidenebutanoate
- ethyl 3-oxobutanoate
- ethyl 3-oxobutyrate
- Ethyl acetonecarboxylate
- ethyl acetyl acetate
- ethyl acetylacetate
- ethyl acetylacetonate
- ethyl beta-ketobutyrate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl Acetoacetate |
| Molecular formula chemrof:molecular_formula | C6H10O3 |
| Molecular mass chemrof:molecular_mass | 130.143 |
| Monoisotopic mass chemrof:monoisotopic_mass | 130.06299, 130.062994 |
| SMILES string chemrof:smiles_string | CCOC(=O)CC(C)=O |
Known URLs
39Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=141-97-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4893 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.015 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1024 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.13865426.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2027092 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8657 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL169176 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/ethyl-acetoacetate | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB003241 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IZP61H3TB1 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031216 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.493H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C03500 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C03500 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44759 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ETHYL-ACETOACETATE | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:EAC | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8868 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15084322 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1521830 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16233006 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23142514 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24010347 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25558982 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26521683 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29341217 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30890485 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31193366 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32562527 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33876098 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33920266 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7370749 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9301121 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9615478 | enrich_references.chebi_xrefs |
| reaxys | reaxys:385838 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q47192 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ethyl_acetoacetate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e42a826b-2acd-4afe-91ec-e8fc48e106d9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 98e376a9-8b30-4d57-8ae2-1c9b038b4c73 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 909fcb8f-0f38-4daa-a059-c3ee9c3714b7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 38860ad7-64e8-42a7-b6f4-bdd4f8e24c81 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 05d128bf-b636-4193-9f06-03b60dcedf27 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| efb6ec56-bcaf-456a-952e-40fa50107b92 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 960d7d51-23fd-48ad-a7d0-c75e9cab2a93 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08c231de-43d4-490f-a32f-aa6d0d0ce3ee | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a7382204-faba-4a00-8d73-9206fd31c3fc | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e5cce145-f5da-443b-b8d2-b5bf68c8d0d8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0dff5e9c-39e0-40a7-babb-4e192a8505d1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ede57f08-49a2-4530-9ea3-6bc3132bc1ef | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8989d712-980a-467a-9835-0a50e75ab7c2 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works