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Dibutyl phthalate-[d4]

General Information
Catalog: BLP-000205
CAS: 93952-11-5
Molecular Formula: C16H18D4O4
Molecular Weight: 282.37
Chemical Structure
Dibutyl phthalate-[d4]
Synonyms Di-n-butyl phthalate-d4; Dibutyl (D4)benzene-1,2-dicarboxylate; Dibutyl phthalate-3,4,5,6-d4
IUPAC Name dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS 84-74-2 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCC)C(=O)OCCCC)[2H])[2H]
Canonical SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChI InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/i7D,8D,9D,10D
InChI Key DOIRQSBPFJWKBE-ULDPCNCHSA-N
Boiling Point 340 °C (lit.)
Melting Point −35 °C (lit.)
Purity 98% atom D
Density 1.058 g/mL at 25 °C
Solubility Soluble in Chloroform, Methanol
Appearance Colorless Oil
Storage Store at -20°C

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