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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 19618
    role 19561
      chemical role 19049
        environmental contaminant 18394
          dibutyl phthalate 4747
Path 2
Term Annotations click to browse term
  CHEBI ontology 19618
    subatomic particle 19614
      composite particle 19614
        hadron 19614
          baryon 19614
            nucleon 19614
              atomic nucleus 19614
                atom 19614
                  main group element atom 19492
                    p-block element atom 19492
                      carbon group element atom 19363
                        carbon atom 19355
                          organic molecular entity 19355
                            organic group 18310
                              organic divalent group 18300
                                organodiyl group 18300
                                  carbonyl group 18185
                                    carbonyl compound 18185
                                      carboxylic acid 17846
                                        aromatic carboxylic acid 10035
                                          benzoic acids 9994
                                            benzenedicarboxylic acid 6582
                                              phthalic acid 6297
                                                phthalate ester 6297
                                                  dibutyl phthalate 4747
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