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Dioctyl phthalate-[3,4,5,6-d4]

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General Information
Catalog: BLP-012929
CAS: 93952-13-7
Molecular Formula: C24H34D4O4
Molecular Weight: 394.58

Chemical Structure

Description	Dioctyl phthalate-[3,4,5,6-d4] is the labelled analogue of Dioctyl phthalate, which is a phthalate ester used as a plasticizer and additive.
Synonyms	Dioctyl phthalate-3,4,5,6-d4; Di-n-octyl Phthalate-d4; 1,2-(Benzene-d4)dicarboxylic Acid, Dioctyl Ester; Phthalic Acid-d4 Dioctyl Ester; Bis(n-octyl) Phthalate-d4; DNOP-d4; Dicapryl Phthalate-d4; Dioctyl o-Phthalate-d4; NSC 15318-d4; Vinycizer 85-d4; n-Octyl Phthalate-d4
IUPAC Name	dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	117-84-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)[2H])[2H]
Canonical SMILES	CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
InChI	InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3/i13D,14D,17D,18D
InChI Key	MQIUGAXCHLFZKX-AMEAAFLOSA-N
Boiling Point	384°C
Melting Point	−50°C
Purity	95% by HPLC; 98% atom D
Density	0.991 g/mL at 25°C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Colourless to Pale Yellow Oily Matter
Storage	Store at 2-8°C