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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:bis(2-ethylhexyl) phthalate
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Accession:CHEBI:17747 term browser browse the term
Definition:A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
Synonyms:exact_synonym: bis(2-ethylhexyl) benzene-1,2-dicarboxylate
 related_synonym: 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester;   2-Ethylhexyl phthalate;   Bis(2-ethylhexyl) o-phthalate;   Bis(ethylhexyl) phthalate;   DEHP;   Di(2-ethylhexyl) o-phthalate;   Di(2-ethylhexyl)orthophthalate;   Di(2-ethylhexyl)phthalate;   Di(ethylhexyl) phthalate;   Di-sec-octyl phthalate;   Diethylhexyl phthalate;   Dioctyl phthalate;   Formula=C24H38O4;   InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;   InChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N;   Octyl phthalate;   Phthalic acid bis(2-ethylhexyl) ester;   Phthalic acid di(2-ethylhexyl) ester;   SMILES=CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC;   di-iso-Octyl phthalate
 alt_id: CHEBI:13911;   CHEBI:22889;   CHEBI:3116
 xref: Beilstein:1890696;   CAS:117-81-7;   KEGG:C03690
 xref_mesh: MESH:D004051
 xref: MetaCyc:BIS2-ETHYLHEXYLPHTHALATE;   PMID:12963402;   PMID:16874505;   PMID:17286146;   PMID:19211671;   PMID:19840837;   PMID:28199414;   PMID:28763719;   Reaxys:1890696;   Wikipedia:Bis(2-ethylhexyl)_phthalate

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  CHEBI ontology 0
    role 0
      application 0
        plasticiser 0
          bis(2-ethylhexyl) phthalate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      aromatic carboxylic acid 0
                                        benzoic acids 0
                                          benzenedicarboxylic acid 0
                                            phthalic acid 0
                                              phthalate ester 0
                                                bis(2-ethylhexyl) phthalate 0
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