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CHEBI:79937 - bis(2-butoxyethyl)phthalate

ChEBI IDCHEBI:79937
ChEBI Namebis(2-butoxyethyl)phthalate
Stars
DefinitionA phthalate ester obtained by the formal condensation of both the carboxy groups of phthalic acid with two molecules of 2-butoxyethanol.
Last Modified16 July 2015
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC
InChIInChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
InChIKeyCMCJNODIWQEOAI-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
bis(2-butoxyethyl)phthalate (CHEBI:79937) has functional parent 2-butoxyethanol (CHEBI:63921)
bis(2-butoxyethyl)phthalate (CHEBI:79937) has role xenobiotic (CHEBI:35703)
bis(2-butoxyethyl)phthalate (CHEBI:79937) is a diester (CHEBI:51307)
bis(2-butoxyethyl)phthalate (CHEBI:79937) is a phthalate ester (CHEBI:35484)
IUPAC Name 
bis(2-butoxyethyl) benzene-1,2-dicarboxylate
Synonym  Source
beta-Butoxyethyl phthalateKEGG COMPOUND
Manual XrefsDatabases
C15438KEGG COMPOUND
Registry NumbersSources
Reaxys:2006754Reaxys
CAS:117-83-9KEGG COMPOUND