loading...| Preferred Name |
dibutyl phthalate |
|
| Synonyms |
Dibutyl phthalate dibutyl benzene-1,2-dicarboxylate Benzenedicarboxylic acid dibutyl ester Di-n-butyl phthalate DBP 1,2-Benzenedicarboxylic acid dibutyl ester Phthalic acid dibutyl ester Phthalic acid di-n-butyl ester Butyl phthalate Dibutyl o-phthalate o-Benzenedicarboxylic acid dibutyl ester n-Butyl phthalate Dibutyl-o-phthalate Benzene-o-dicarboxylic acid di-n-butyl ester Dibutyl 1,2-benzenedicarboxylate |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_34687 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:4414 PMID:26730679 PMID:16232742 PMID:28102498 PMID:27655612 PMID:28486587 KEGG:C14214 PMID:28823096 PMID:28566680 PPDB:2924 HMDB:HMDB0033244 PMID:24468924 Wikipedia:Dibutyl_phthalate PMID:19840837 PMID:11133400 PMID:28363850 PMID:24616073 Gmelin:262569 PMID:28580302 PMID:24213843 Reaxys:1914064 PMID:28822891 CAS:84-74-2 Beilstein:1914064 PMID:28753974 |
|
| 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. |
|
| formula |
C16H22O4 |
|
| has_alternative_id |
CHEBI:535597 |
|
| has_exact_synonym |
Dibutyl phthalate dibutyl benzene-1,2-dicarboxylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Benzenedicarboxylic acid dibutyl ester Di-n-butyl phthalate DBP 1,2-Benzenedicarboxylic acid dibutyl ester Phthalic acid dibutyl ester Phthalic acid di-n-butyl ester Butyl phthalate Dibutyl o-phthalate o-Benzenedicarboxylic acid dibutyl ester n-Butyl phthalate Dibutyl-o-phthalate Benzene-o-dicarboxylic acid di-n-butyl ester Dibutyl 1,2-benzenedicarboxylate |
|
| id |
CHEBI:34687 |
|
| in_subset | ||
| inchi |
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 |
|
| label |
dibutyl phthalate |
|
| mass |
278.34350 |
|
| monoisotopicmass |
278.15181 |
|
| notation |
CHEBI:34687 |
|
| prefLabel |
dibutyl phthalate |
|
| smiles |
CCCCOC(=O)c1ccccc1C(=O)OCCCC |
|
| subClassOf |