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Dicyclohexyl phthalate-[d4]

General Information
Catalog: BLP-000368
CAS: 358731-25-6
Molecular Formula: C20H22D4O4
Molecular Weight: 334.44
Chemical Structure
Dicyclohexyl phthalate-[d4]
Description Dicyclohexyl phthalate-[d4] is the labelled analogue of Dicyclohexyl Phthalate, a phthalate ester used as a plasticizer as well as being present in cosmetic products.
Synonyms Dicyclohexyl phthalate-D4; Dicyclohexyl phthalate-3,4,5,6-d4; d4-dicyclohexyl phthalate; Dicyclohexyl (D4)benzene-1,2-dicarboxylate
IUPAC Name dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS 84-61-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OC2CCCCC2)C(=O)OC3CCCCC3)[2H])[2H]
Canonical SMILES C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
InChI InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2/i7D,8D,13D,14D
InChI Key VOWAEIGWURALJQ-ZZRPVTOQSA-N
Boiling Point 425.8ºC at 760 mmHg
Melting Point 64-66°C
Purity >98%
Density 1.15g/cm3
Solubility Soluble in Chloroform, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C

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