bis(2-butoxyethyl)phthalate (CHEBI:79937)

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ChEBI Name	bis(2-butoxyethyl)phthalate

ChEBI ID	CHEBI:79937

Definition	A phthalate ester obtained by the formal condensation of both the carboxy groups of phthalic acid with two molecules of 2-butoxyethanol.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O6

Net Charge

Average Mass

366.44860

Monoisotopic Mass

366.20424

InChI

InChI=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

InChIKey

CMCJNODIWQEOAI-UHFFFAOYSA-N

SMILES

CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC

Roles Classification
Biological Role(s):	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(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via phthalate ester )

ChEBI Ontology
Outgoing	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 phthalate	KEGG COMPOUND

Last Modified

16 July 2015