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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 19749
    role 19696
      chemical role 19209
        environmental contaminant 18533
          dibutyl phthalate 4870
Path 2
Term Annotations click to browse term
  CHEBI ontology 19749
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19630
                    p-block element atom 19630
                      carbon group element atom 19523
                        carbon atom 19517
                          organic molecular entity 19517
                            organic group 18427
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18305
                                    carbonyl compound 18305
                                      carboxylic acid 17972
                                        aromatic carboxylic acid 10739
                                          benzoic acids 10705
                                            benzenedicarboxylic acid 7630
                                              phthalic acid 7365
                                                phthalate ester 7365
                                                  dibutyl phthalate 4870
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