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Monoisobutyl Phthalate-[d4]

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General Information
Catalog: BLP-004789
CAS: 1219802-26-2
Molecular Formula: C12H10D4O4
Molecular Weight: 226.26

Chemical Structure

Synonyms	Monoisobutyl Phthalate D4; 1,2-Benzene-3,4,5,6-d4-dicarboxylic Acid Mono(2-methylpropyl) Ester
IUPAC Name	2,3,4,5-tetradeuterio-6-(2-methylpropoxycarbonyl)benzoic acid
Related CAS	30833-53-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCC(C)C)[2H])[2H]
Canonical SMILES	CC(C)COC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)/i3D,4D,5D,6D
InChI Key	RZJSUWQGFCHNFS-LNFUJOGGSA-N
Melting Point	66-68°C
Purity	≥98%; ≥98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C