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Diisopentyl Phthalate-[d4]

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General Information
Catalog: BLP-005162
CAS: 1346597-80-5
Molecular Formula: C18H22D4O4
Molecular Weight: 310.42

Chemical Structure

Synonyms	1,2-Benzenedicarboxylic Acid-d4 1,2-Bis(3-methylbutyl) Ester; Diisopentyl Phthalate D4; Phthalic acid, bis-iso-pentyl ester D4
IUPAC Name	bis(3-methylbutyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	605-50-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCC(C)C)C(=O)OCCC(C)C)[2H])[2H]
Canonical SMILES	CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
InChI	InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3/i5D,6D,7D,8D
InChI Key	JANBFCARANRIKJ-KDWZCNHSSA-N
Boiling Point	318.7±10.0°C at 760 mmHg
Purity	98% by CP; 99% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Clear Colorless to Pale Yellow Oil
Storage	Store at -20°C