CHEBI:178062 - phthalic acid di(2-propylpentyl)ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name phthalic acid di(2-propylpentyl)ester
ChEBI ID CHEBI:178062
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O4
Net Charge 0
Average Mass 390.564
Monoisotopic Mass 390.27701
InChI InChI=1S/C24H38O4/c1-5-11-19(12-6-2)17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20(13-7-3)14-8-4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChIKey KIYUVQCUDDMZRE-UHFFFAOYSA-N
SMILES O(CC(CCC)CCC)C(=O)C=1C(C(OCC(CCC)CCC)=O)=CC=CC1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing phthalic acid di(2-propylpentyl)ester (CHEBI:178062) is a benzoate ester (CHEBI:36054)
IUPAC Name
bis(2-propylpentyl) benzene-1,2-dicarboxylate
Manual Xref Database
166657 ChemSpider
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Registry Number Type Source
70910-37-1 CAS Registry Number ChemIDplus