CHEBI:191077 - Butyl 2-ethylhexyl phthalate

ChEBI IDCHEBI:191077
ChEBI NameButyl 2-ethylhexyl phthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChIInChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
InChIKeyAVOLBYOSCILFLL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Butyl 2-ethylhexyl phthalate (CHEBI:191077) is a benzoate ester (CHEBI:36054)
IUPAC Name 
1-O-butyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
Manual XrefsDatabases
6559ChemSpider
Registry NumbersSources
CAS:85-69-8ChemIDplus