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Diisodecyl Phthalate-[d4]

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General Information
Catalog: BLP-005160
CAS: 1346604-79-2
Molecular Formula: C28H42D4O4
Molecular Weight: 450.69

Chemical Structure

Synonyms	Diisodecyl Phthalate D4; Bis(8-methylnonyl) (2H4)benzene-1,2-dicarboxylate
IUPAC Name	bis(8-methylnonyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	89-16-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)[2H])[2H]
Canonical SMILES	CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
InChI	InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3/i13D,14D,19D,20D
InChI Key	ZVFDTKUVRCTHQE-OLNJRPQYSA-N
Boiling Point	425.8±13.0°C at 760 mmHg
Purity	98% by CP; 99% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Colorless to Light Yellow Oil
Storage	Store at -20°C