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

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General Information
Catalog: BLP-012930
CAS: 358730-89-9
Molecular Formula: C18H22D4O4
Molecular Weight: 310.42

Chemical Structure

Synonyms	Di-n-pentyl phthalate-d4; Dipentyl phthalate-3,4,5,6-d4; 1,2-Benzene-3,4,5,6-d4-dicarboxylic Acid, Dipentyl Ester; DPENP-d4; DnPP-d4; Amyl Phthalate-d4
IUPAC Name	dipentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	131-18-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCC)C(=O)OCCCCC)[2H])[2H]
Canonical SMILES	CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
InChI	InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3/i7D,8D,11D,12D
InChI Key	IPKKHRVROFYTEK-CXRURWBMSA-N
Boiling Point	342°C
Purity	95% by HPLC; 98% atom D
Density	1.036 g/mL at 25°C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Colourless Oily Matter
Storage	Store at 2-8°C