CHEBI:34678 - Di-n-hexyl phthalate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Di-n-hexyl phthalate
ChEBI ID CHEBI:34678
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.451
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey KCXZNSGUUQJJTR-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Di-n-hexyl phthalate (CHEBI:34678) is a 2-hydroxyisophthalic acid (CHEBI:19643)
Synonyms Sources
Di-n-hexyl phthalate KEGG COMPOUND
Dihexyl 1,2-benzenedicarboxylate KEGG COMPOUND
Dihexyl phthalate KEGG COMPOUND
Manual Xref Database
C14504 KEGG COMPOUND
View more database links
Registry Number Type Source
84-75-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014