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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_34698
http://purl.obolibrary.org/obo/CHEBI_34698
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_34698
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Preferred name
diethyl phthalate
Synonyms
diethyl benzene-1,2-dicarboxylate
o-Benzenedicarboxylic acid diethyl ester
Ethyl phthalate
Diethyl phthalate
1,2-Benzenedicarboxylic acid diethyl ester
Phthalsaeurediaethylester
Diethyl 1,2-benzenedicarboxylate
DEP
Phthalic acid diethyl ester
1,2-Diethyl phthalate
Diethyl o-phthalate
o-Bis(ethoxycarbonyl)benzene
Definitions
The diethyl ester of benzene-1,2-dicarboxylic acid.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_50910
http://purl.obolibrary.org/obo/CHEBI_50905
http://purl.obolibrary.org/obo/CHEBI_79056
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCOC(=O)c1ccccc1C(=O)OCC
obo_purl:charge
0
obo_purl:inchikey
FLKPEMZONWLCSK-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_50910
http://purl.obolibrary.org/obo/CHEBI_50905
http://purl.obolibrary.org/obo/CHEBI_79056
oboinowl_gen:hasDbXref
PMID:16784196
KEGG:D03804
Reaxys:1912500
Beilstein:1912500
PMID:19840837
PMID:27639077
PMID:23880707
KEGG:C14175
Wikipedia:Diethyl_phthalate
Gmelin:261704
PMID:24418706
PMID:26004250
PMID:26730679
PMID:28577407
CAS:84-66-2
PMID:28580013
obo_purl:IAO_0000115
The diethyl ester of benzene-1,2-dicarboxylic acid.
skos:notation
CHEBI:34698
oboinowl_gen:hasExactSynonym
diethyl benzene-1,2-dicarboxylate
Diethyl phthalate
obo_purl:mass
222.23716
obo_purl:inchi
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
obo_purl:formula
C12H14O4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
diethyl benzene-1,2-dicarboxylate
o-Benzenedicarboxylic acid diethyl ester
Ethyl phthalate
1,2-Benzenedicarboxylic acid diethyl ester
Phthalsaeurediaethylester
Diethyl 1,2-benzenedicarboxylate
DEP
Phthalic acid diethyl ester
1,2-Diethyl phthalate
Diethyl o-phthalate
o-Bis(ethoxycarbonyl)benzene
oboinowl_gen:id
CHEBI:34698
rdfs:label
diethyl phthalate
obo_purl:monoisotopicmass
222.08921
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35484
http://purl.obolibrary.org/obo/CHEBI_23990
http://purl.obolibrary.org/obo/CHEBI_51307
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