2-methyl butyl propyl phthalate (CHEBI:227993)

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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	2-methyl butyl propyl phthalate

ChEBI ID	CHEBI:227993

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O4

Net Charge

Average Mass

278.348

Monoisotopic Mass

278.15181

InChI

InChI=1S/C16H22O4/c1-4-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1

InChIKey

JAVHHOWZJLFVFA-LBPRGKRZSA-N

SMILES

O=C(OC[C@H](CC)C)C1=C(C(=O)OCCC)C=CC=C1

Metabolite of Species	Details
Streptomyces cheonanensis (NCBI:txid312720)	See: PubMed

ChEBI Ontology
Outgoing	2-methyl butyl propyl phthalate (CHEBI:227993) is a benzoate ester (CHEBI:36054)

IUPAC Name

2-O-(2-methylbutyl) 1-O-propyl benzene-1,2-dicarboxylate