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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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Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      chemical role 19171
        environmental contaminant 18468
          dibutyl phthalate 4873
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        aromatic carboxylic acid 10745
                                          benzoic acids 10711
                                            benzenedicarboxylic acid 7635
                                              phthalic acid 7370
                                                phthalate ester 7370
                                                  dibutyl phthalate 4873
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