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Bis(2-propylheptyl) Phthalate-[d4]

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General Information
Catalog: BLP-021435
CAS: 1346601-46-4
Molecular Formula: C28H42D4O4
Molecular Weight: 450.69

Chemical Structure

Description	One of the main metabolite of phthalates.
Synonyms	1,2-Benzenedicarboxylic-d4 Acid 1,2-Bis(2-propylheptyl)ester-d4; Phthalic Acid Bis(2-propylheptyl)ester-d4; Di-2-propylheptyl Phthalate-d4; NSC 17071-d4; Palatinol 10P-d4; DPHP-d4
IUPAC Name	bis(2-propylheptyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC(CCC)CCCCC)C(=O)OCC(CCC)CCCCC)[2H])[2H]
Canonical SMILES	CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC
InChI	InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3/i13D,14D,19D,20D
InChI Key	MTYUOIVEVPTXFX-OLNJRPQYSA-N
Solubility	Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
Appearance	Clear Pale Yellow Oil
Storage	4°C