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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 22210
        role 22195
          application 21776
            plasticiser 7850
              bis(2-ethylhexyl) phthalate 3945
    Path 2
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      CHEBI ontology 22210
        subatomic particle 22202
          composite particle 22202
            hadron 22202
              baryon 22202
                nucleon 22202
                  atomic nucleus 22202
                    atom 22202
                      main group element atom 22136
                        p-block element atom 22136
                          carbon group element atom 21936
                            carbon atom 21861
                              organic molecular entity 21861
                                heteroorganic entity 21517
                                  organochalcogen compound 21005
                                    organooxygen compound 20846
                                      carbon oxoacid 19634
                                        carboxylic acid 19630
                                          aromatic carboxylic acid 12790
                                            benzoic acids 12768
                                              benzenedicarboxylic acid 8838
                                                phthalic acid 8603
                                                  phthalate ester 8603
                                                    bis(2-ethylhexyl) phthalate 3945
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