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ONTOLOGY REPORT - ANNOTATIONS


Term:dibutyl phthalate
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Accession:CHEBI:34687 term browser browse the term
Definition: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.
Synonyms:exact_synonym: dibutyl benzene-1,2-dicarboxylate
 related_synonym: 1,2-Benzenedicarboxylic acid dibutyl ester;   Benzene-o-dicarboxylic acid di-n-butyl ester;   Benzenedicarboxylic acid dibutyl ester;   Butyl phthalate;   DBP;   Di-n-butyl phthalate;   Dibutyl 1,2-benzenedicarboxylate;   Dibutyl-o-phthalate;   Formula=C16H22O4;   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;   InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N;   Phthalic acid di-n-butyl ester;   Phthalic acid dibutyl ester;   SMILES=CCCCOC(=O)c1ccccc1C(=O)OCCCC;   n-Butyl phthalate;   o-Benzenedicarboxylic acid dibutyl ester
 alt_id: CHEBI:535597
 xref: Beilstein:1914064 "Beilstein";   CAS:84-74-2 "ChemIDplus";   CAS:84-74-2 "KEGG COMPOUND";   CAS:84-74-2 "NIST Chemistry WebBook";   Drug_Central:4414 "DrugCentral";   Gmelin:262569 "Gmelin";   HMDB:HMDB0033244;   KEGG:C14214
 xref_mesh: MESH:D003993
 xref: PMID:11133400 "Europe PMC";   PMID:16232742 "Europe PMC";   PMID:19840837 "Europe PMC";   PMID:24213843 "Europe PMC";   PMID:24468924 "Europe PMC";   PMID:24616073 "Europe PMC";   PMID:26730679 "Europe PMC";   PMID:27655612 "Europe PMC";   PMID:28102498 "Europe PMC";   PMID:28363850 "Europe PMC";   PMID:28486587 "Europe PMC";   PMID:28566680 "Europe PMC";   PMID:28580302 "Europe PMC";   PMID:28753974 "Europe PMC";   PMID:28822891 "Europe PMC";   PMID:28823096 "Europe PMC";   PPDB:2924;   Reaxys:1914064 "Reaxys";   Wikipedia:Dibutyl_phthalate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 23758
    role 23647
      chemical role 22196
        environmental contaminant 19790
          dibutyl phthalate 4865
Path 2
Term Annotations click to browse term
  CHEBI ontology 23758
    subatomic particle 23707
      composite particle 23707
        hadron 23707
          baryon 23707
            nucleon 23707
              atomic nucleus 23707
                atom 23707
                  main group element atom 23527
                    p-block element atom 23527
                      carbon group element atom 23238
                        carbon atom 23215
                          organic molecular entity 23215
                            organic group 21900
                              organic divalent group 21872
                                organodiyl group 21872
                                  carbonyl group 21843
                                    carbonyl compound 21843
                                      carboxylic acid 20891
                                        aromatic carboxylic acid 11298
                                          benzoic acids 11263
                                            benzenedicarboxylic acid 7733
                                              phthalic acid 7442
                                                phthalate ester 7442
                                                  dibutyl phthalate 4865
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