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Mono-2-ethylhexyl phthalate-[d4]

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General Information
Catalog: BLP-012956
CAS: 1276197-22-8
Molecular Formula: C16H18D4O4
Molecular Weight: 282.37

Chemical Structure

Description	Mono-2-ethylhexyl phthalate-[d4] is the labelled analogue of Monoethylhexyl phthalic acid (MEHP). MEHP is an active metabolite of Bis(2-ethylhexyl)phthalate (DEHP).
Synonyms	Mono-2-ethylhexyl phthalate-D4; Mono(2-ethylhexyl) Phthalate-d4; 2-Ethylhexyl Hydrogen Phthalate-d4; Phthalic Acid-d4 Mono(2-ethylhexyl) Ester; 1,2-(Benzene-d4)dicarboxylic Acid Mono(2-ethylhexyl) Ester; MEHP-d4; rac Mono(ethylhexyl) Phthalate-d4
IUPAC Name	2,3,4,5-tetradeuterio-6-(2-ethylhexoxycarbonyl)benzoic acid
Related CAS	4376-20-9 (unlabelled)
Canonical SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/i6D,7D,9D,10D
InChI Key	DJDSLBVSSOQSLW-NECLWFIRSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Colourless to Light Beige Oil to Semi-Solid
Storage	Store at 2-8°C