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Bis(2-ethylhexyl) phthalate-[13C6]

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General Information
Catalog: BLP-000077
CAS: 1675732-80-5
Molecular Formula: C18[13C]6H38O4
Molecular Weight: 396.51

Chemical Structure

Description	Labelled analogue of is(2-ethylhexyl) Phthalate, an alkyl phthalate ester plasticizer used to import softness and flexibility to PVC products.
Synonyms	Bis(2-ethylhexyl) phthalate-(phenyl-13C6); Bis(2-ethylhexyl) Phthalate-13C6
IUPAC Name	bis(2-ethylhexyl) (1,2,3,4,5,6-13C6)cyclohexa-2,4,6-triene-1,2-dicarboxylate
Related CAS	117-81-7 (unlabelled)
Isomeric SMILES	CCCCC(CC)COC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13C]1C(=O)OCC(CC)CCCC
Canonical SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI	InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i11+1,12+1,15+1,16+1,21+1,22+1
InChI Key	BJQHLKABXJIVAM-GAOGTBERSA-N
Purity	98% (CP); 99% atom 13C