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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 20971
    role 20952
      chemical role 20281
        environmental contaminant 19108
          dibutyl phthalate 4886
Path 2
Term Annotations click to browse term
  CHEBI ontology 20971
    subatomic particle 20965
      composite particle 20965
        hadron 20965
          baryon 20965
            nucleon 20965
              atomic nucleus 20965
                atom 20965
                  main group element atom 20803
                    p-block element atom 20803
                      carbon group element atom 20543
                        carbon atom 20519
                          organic molecular entity 20519
                            organic group 19168
                              organic divalent group 19158
                                organodiyl group 19158
                                  carbonyl group 19130
                                    carbonyl compound 19130
                                      carboxylic acid 18806
                                        aromatic carboxylic acid 10838
                                          benzoic acids 10804
                                            benzenedicarboxylic acid 7718
                                              phthalic acid 7447
                                                phthalate ester 7447
                                                  dibutyl phthalate 4886
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