EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34677 - diheptyl phthalate

ChEBI IDCHEBI:34677
ChEBI Namediheptyl phthalate
Stars
DefinitionThe diheptyl ester of benzene-1,2-dicarboxylic acid.
Last Modified24 August 2017
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
InChIInChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKeyJQCXWCOOWVGKMT-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
diheptyl phthalate (CHEBI:34677) is a diester (CHEBI:51307)
diheptyl phthalate (CHEBI:34677) is a phthalate ester (CHEBI:35484)
IUPAC Name 
diheptyl benzene-1,2-dicarboxylate
Synonyms  Source
Di-n-heptyl phthalateKEGG COMPOUND
DHPPChEBI
1,2-Benzenedicarboxylic acid diheptyl esterChemIDplus
Phthalic acid diheptyl esterChemIDplus
Di-n-HeptylphthalateChemIDplus
Heptyl phthalateChemIDplus
Manual XrefsDatabases
C14575KEGG COMPOUND
Registry NumbersSources
Beilstein:2336623Beilstein
CAS:3648-21-3KEGG COMPOUND
CAS:3648-21-3ChemIDplus
CAS:3648-21-3NIST Chemistry WebBook
Citations