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CHEBI:34678 - Di-n-hexyl phthalate

ChEBI IDCHEBI:34678
ChEBI NameDi-n-hexyl phthalate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
InChIInChI=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
InChIKeyKCXZNSGUUQJJTR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Di-n-hexyl phthalate (CHEBI:34678) is a 2-hydroxyisophthalic acid (CHEBI:19643)
Synonyms  Source
Di-n-hexyl phthalateKEGG COMPOUND
Dihexyl 1,2-benzenedicarboxylateKEGG COMPOUND
Dihexyl phthalateKEGG COMPOUND
Manual XrefsDatabases
C14504KEGG COMPOUND
Registry NumbersSources
CAS:84-75-3KEGG COMPOUND