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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | ethyl acetate | |
| Synonyms |
acetoxyethane acetic acid ethyl ester Acetyl ester acetic ester Ethylazetat vinegar naphtha ethyl acetic ester CH3-CO-O-CH3 acetic acid, ethyl ester 1-acetoxyethane Ethylacetat ethyl ethanoate Essigsaeureethylester AcOEt Essigester 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 |
|
| alternative term |
acetoxyethane acetic acid ethyl ester Acetyl ester acetic ester Ethylazetat vinegar naphtha ethyl acetic ester CH3-CO-O-CH3 acetic acid, ethyl ester 1-acetoxyethane Ethylacetat ethyl ethanoate Essigsaeureethylester AcOEt Essigester EtOAc Ethyl acetate ethyl acetate ETHYL ACETATE
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_77706 http://purl.obolibrary.org/obo/CHEBI_75772 |
|
| charge |
0
|
|
| database_cross_reference |
Reaxys:506104 PMID:21797203 PMID:21764274 PMID:23089728 KNApSAcK:C00001308 PDBeChem:EEE PMID:23351147 CAS:141-78-6 Wikipedia:Ethyl_acetate PMID:23078109 Beilstein:506104 PMID:23108979 KEGG:D02319 KEGG:C00849 HMDB:HMDB0031217 KEGG:C01883 PMID:23614288 PMID:15497757 UM-BBD_compID:c0036 PMID:11684179 Gmelin:26306
|
|
| formula |
C4H8O2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_77706 http://purl.obolibrary.org/obo/CHEBI_75772 |
|
| has_alternative_id |
CHEBI:42244 CHEBI:23989 CHEBI:2389
|
|
| has_exact_synonym |
Ethyl acetate ethyl acetate ETHYL ACETATE
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
acetoxyethane acetic acid ethyl ester Acetyl ester acetic ester Ethylazetat vinegar naphtha ethyl acetic ester CH3-CO-O-CH3 acetic acid, ethyl ester 1-acetoxyethane Ethylacetat ethyl ethanoate Essigsaeureethylester AcOEt Essigester EtOAc
|
|
| has_RxCUI |
1314355
|
|
| 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
|
|
| prefixIRI |
CHEBI:27750
|
|
| prefLabel |
ethyl acetate
|
|
| smiles |
CCOC(C)=O
|
|
| textual definition |
The acetate ester formed between acetic acid and ethanol.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_134179 |
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