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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | ethyl acetate | |
| Synonyms |
1-acetoxyethane ethyl ethanoate CH3-CO-O-CH3 ethyl acetic ester Ethylacetat acetoxyethane Ethylazetat vinegar naphtha acetic ester AcOEt Essigester Acetyl ester Essigsaeureethylester acetic acid ethyl ester acetic acid, ethyl ester EtOAc ethyl acetate Ethyl acetate ETHYL ACETATE |
|
| Definitions |
The acetate ester formed between acetic acid and ethanol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27750 |
|
| charge |
0
|
|
| database_cross_reference |
UM-BBD_compID:c0036 PMID:21764274 CAS:141-78-6 KEGG:D02319 PMID:15497757 PMID:23078109 PMID:21797203 KEGG:C00849 Wikipedia:Ethyl_acetate Reaxys:506104 Gmelin:26306 HMDB:HMDB0031217 PMID:23108979 PDBeChem:EEE KEGG:C01883 PMID:23351147 KNApSAcK:C00001308 PMID:23614288 PMID:23089728 PMID:11684179
|
|
| definition |
The acetate ester formed between acetic acid and ethanol.
|
|
| formula |
C4H8O2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_77706 http://purl.obolibrary.org/obo/CHEBI_75772 |
|
| has_alternative_id |
CHEBI:23989 CHEBI:2389 CHEBI:42244
|
|
| has_exact_synonym |
ethyl acetate Ethyl acetate ETHYL ACETATE
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-acetoxyethane ethyl ethanoate CH3-CO-O-CH3 ethyl acetic ester Ethylacetat acetoxyethane Ethylazetat vinegar naphtha acetic ester AcOEt Essigester Acetyl ester Essigsaeureethylester acetic acid ethyl ester acetic acid, ethyl ester EtOAc
|
|
| id |
CHEBI:27750
|
|
| in_subset | ||
| inchi |
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
|
|
| inchikey |
XEKOWRVHYACXOJ-UHFFFAOYSA-N
|
|
| label |
ethyl acetate
|
|
| mass |
88.10512
|
|
| monoisotopicmass |
88.05243
|
|
| notation |
CHEBI:27750
|
|
| prefLabel |
ethyl acetate
|
|
| smiles |
CCOC(C)=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_134179 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_134179 |
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