ECTO | Classes | AgroPortal

)

ID	http://purl.obolibrary.org/obo/CHEBI_34687 http://purl.obolibrary.org/obo/CHEBI_34687 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_34687 Loading
Preferred name	dibutyl phthalate
Synonyms	Phthalic acid dibutyl ester Benzenedicarboxylic acid dibutyl ester DBP o-Benzenedicarboxylic acid dibutyl ester Dibutyl 1,2-benzenedicarboxylate Dibutyl-o-phthalate Benzene-o-dicarboxylic acid di-n-butyl ester Dibutyl phthalate n-Butyl phthalate Butyl phthalate 1,2-Benzenedicarboxylic acid dibutyl ester Dibutyl o-phthalate Phthalic acid di-n-butyl ester Di-n-butyl phthalate dibutyl benzene-1,2-dicarboxylate
Definitions	A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.

oboinowl_gen:hasAlternativeId	CHEBI:535597
obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_25212 Loading http://purl.obolibrary.org/obo/CHEBI_50905 Loading http://purl.obolibrary.org/obo/CHEBI_78298 Loading http://purl.obolibrary.org/obo/CHEBI_79056 Loading http://purl.obolibrary.org/obo/CHEBI_67239 Loading
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
obo_purl:smiles	CCCCOC(=O)c1ccccc1C(=O)OCCCC
obo_purl:charge	0
obo_purl:inchikey	DOIRQSBPFJWKBE-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_25212 Loading http://purl.obolibrary.org/obo/CHEBI_50905 Loading http://purl.obolibrary.org/obo/CHEBI_78298 Loading http://purl.obolibrary.org/obo/CHEBI_79056 Loading http://purl.obolibrary.org/obo/CHEBI_67239 Loading
oboinowl_gen:hasDbXref	PMID:24616073 PMID:28486587 PMID:28363850 PMID:28753974 PMID:11133400 PMID:27655612 PPDB:2924 CAS:84-74-2 PMID:28580302 Drug_Central:4414 PMID:19840837 PMID:24213843 Reaxys:1914064 Beilstein:1914064 PMID:26730679 PMID:28566680 PMID:28822891 PMID:16232742 KEGG:C14214 Wikipedia:Dibutyl_phthalate PMID:24468924 PMID:28823096 Gmelin:262569 PMID:28102498 HMDB:HMDB0033244
obo_purl:IAO_0000115	A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.
skos:notation	CHEBI:34687
oboinowl_gen:hasExactSynonym	Dibutyl phthalate dibutyl benzene-1,2-dicarboxylate
obo_purl:mass	278.34350
obo_purl:inchi	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_28885 Loading
obo_purl:formula	C16H22O4
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class Loading
oboinowl_gen:hasRelatedSynonym	Phthalic acid dibutyl ester Benzenedicarboxylic acid dibutyl ester DBP o-Benzenedicarboxylic acid dibutyl ester Dibutyl 1,2-benzenedicarboxylate Dibutyl-o-phthalate Benzene-o-dicarboxylic acid di-n-butyl ester n-Butyl phthalate Butyl phthalate 1,2-Benzenedicarboxylic acid dibutyl ester Dibutyl o-phthalate Phthalic acid di-n-butyl ester Di-n-butyl phthalate
oboinowl_gen:id	CHEBI:34687
rdfs:label	dibutyl phthalate
obo_purl:monoisotopicmass	278.15181
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_35484 Loading http://purl.obolibrary.org/obo/CHEBI_51307 Loading

Add comment

Add proposal

Subject	Author	Type	Created
No notes to display