Monooctyl Phthalate-[d4]

General Information
Catalog: BLP-004801
CAS: 1398065-74-1
Molecular Formula: C16H18D4O4
Molecular Weight: 282.37
Related CAS: 5393-19-1 (unlabelled)
Synonyms Monooctyl Phthalate D4; 1,2-Benzenedicarboxylic Acid 1-Octyl Ester-d4; Phthalic Acid Monooctyl Ester-d4; Hydrogen Octyl Phthalate-d4; Mono-n-octyl Phthalate-d4; NSC 4639-d4; Octyl Hydrogen Phthalate-d4; MOP-d4
IUPAC Name 2,3,4,5-tetradeuterio-6-octoxycarbonylbenzoate
Canonical SMILES CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-]
InChI InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)/p-1/i7D,8D,10D,11D
InChI Key PKIYFBICNICNGJ-LLDRQJGISA-M
Purity ≥95%; ≥98% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Colorless Oily Matter
Storage Store at 2-8°C

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