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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_31328
http://purl.obolibrary.org/obo/CHEBI_31328
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_31328
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Preferred name
butyl acetate
Synonyms
Butyl acetate
1-butyl acetate
n-butyl ethanoate
Butylacetat
acetic acid n-butyl ester
Essigsaeure-n-butylester
acetate de butyle
butyl ester of acetic acid
acetic acid, butyl ester
Essigsaeurebutylester
Butylazetat
butyl ethanoate
n-butyl acetate
1-acetoxybutane
butyl acetate
CH3COO(CH2)3CH3
Definitions
The acetate ester of butanol.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_25212
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oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:smiles
CCCCOC(C)=O
obo_purl:charge
0
obo_purl:inchikey
DKPFZGUDAPQIHT-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
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oboinowl_gen:hasDbXref
KEGG:C12304
PDBeChem:8JZ
CAS:123-86-4
Beilstein:1741921
Gmelin:240398
obo_purl:IAO_0000115
The acetate ester of butanol.
skos:notation
CHEBI:31328
oboinowl_gen:hasExactSynonym
Butyl acetate
butyl acetate
obo_purl:mass
116.15828
obo_purl:inchi
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_28885
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obo_purl:formula
C6H12O2
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
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oboinowl_gen:hasRelatedSynonym
1-butyl acetate
n-butyl ethanoate
Butylacetat
acetic acid n-butyl ester
Essigsaeure-n-butylester
acetate de butyle
butyl ester of acetic acid
acetic acid, butyl ester
Essigsaeurebutylester
Butylazetat
butyl ethanoate
n-butyl acetate
1-acetoxybutane
CH3COO(CH2)3CH3
oboinowl_gen:id
CHEBI:31328
rdfs:label
butyl acetate
obo_purl:monoisotopicmass
116.08373
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_47622
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