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Bis(2-ethylhexyl)phthalate-[d4]

General Information
Catalog: BLP-000079
CAS: 93951-87-2
Molecular Formula: C24H34D4O4
Molecular Weight: 394.58
Chemical Structure
Bis(2-ethylhexyl)phthalate-[d4]
Description Bis(2-ethylhexyl)phthalate-[d4] is the deuterium labelled edition of Bis(2-ethylhexyl)phthalate. Bis(2-ethylhexyl) Phthalate plasticizer is used to impart softness and flexibility to PVC products.
Synonyms DEHP-3,4,5,6-d4; Deuterated DEHP; Deuterated bis(2-ethylhexyl)phthalate; Dioctyl phthalate-3,4,5,6-d4; Phthalic acid-3,4,5,6-d4 bis(2-ethylhexyl ester); Bis(2-ethylhexyl)phthalate-3,4,5,6-d4
IUPAC Name bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS 117-81-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)[2H])[2H]
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/i11D,12D,15D,16D
InChI Key BJQHLKABXJIVAM-SAQXESPHSA-N
Boiling Point 231 °C at 5 mmHg (lit.)
Melting Point -50 °C (lit.)
Purity 99% (CP); 98% atom D
Density 0.996 g/mL at 25 °C
Solubility Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance Clear Colorless Oil
Storage Store at -20°C

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