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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 19917
        role 19887
          application 19730
            plasticiser 11406
              bis(2-ethylhexyl) phthalate 3847
    Path 2
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      CHEBI ontology 19917
        subatomic particle 19915
          composite particle 19915
            hadron 19915
              baryon 19915
                nucleon 19915
                  atomic nucleus 19915
                    atom 19915
                      main group element atom 19855
                        p-block element atom 19855
                          carbon group element atom 19774
                            carbon atom 19790
                              organic molecular entity 19790
                                heteroorganic entity 19549
                                  organochalcogen compound 19309
                                    organooxygen compound 19204
                                      carbon oxoacid 18689
                                        carboxylic acid 18686
                                          aromatic carboxylic acid 12711
                                            benzoic acids 12688
                                              benzenedicarboxylic acid 8697
                                                phthalic acid 8462
                                                  phthalate ester 8462
                                                    bis(2-ethylhexyl) phthalate 3847
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