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CHEBI:132605 - mono-2-heptyl phthalate

ChEBI IDCHEBI:132605
ChEBI Namemono-2-heptyl phthalate
Stars
DefinitionA phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-heptanol.
Last Modified16 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCCCCCC(C)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20O4/c1-3-4-5-8-11(2)19-15(18)13-10-7-6-9-12(13)14(16)17/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyNTIWNFLUZQSLDR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
mono-2-heptyl phthalate (CHEBI:132605) is a phthalic acid monoester (CHEBI:132610)
IUPAC Name 
2-{[(heptan-2-yl)oxy]carbonyl}benzoic acid
Synonyms  Source
1,2-benzenedicarboxylic acid mono-2-heptyl esterChEBI
phthalic acid mono-2-heptyl esterChEBI
Registry NumbersSources
Reaxys:2123449Reaxys