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Diisononyl Phthalate-[d4]

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General Information
Catalog: BLP-005161
CAS: 1332965-90-8
Molecular Formula: C26H38D4O4
Molecular Weight: 422.64

Chemical Structure

Synonyms	1,2-(Benzene-d4)dicarboxylic Acid 1,2-Diisononyl Ester; Diisononyl Phthalate D4; Bis(7-methyloctyl) (2H4)benzene-1,2-dicarboxylate
IUPAC Name	bis(7-methyloctyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	28553-12-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C)[2H])[2H]
Canonical SMILES	CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
InChI	InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3/i11D,12D,17D,18D
InChI Key	HBGGXOJOCNVPFY-ODMBGTAASA-N
Boiling Point	405.7±13.0°C at 760 mmHg
Purity	98% by CP; 99% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Colorless to Yellow Oil
Storage	Store at -20°C