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Monopropylheptylphthalate 6-Hydroxy-[d4]

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General Information
Catalog: BLP-004802
CAS: 1412411-11-0
Molecular Formula: C18H22D4O5
Molecular Weight: 326.42

Chemical Structure

Synonyms	Monopropylheptylphthalate 6-Hydroxy D4; 1,2-Benzene-3,4,5,6-d4-dicarboxylic Acid 1-(6-Hydroxy-2-propylheptyl) Ester; 2-(((6-Hydroxy-2-propylheptyl)oxy)carbonyl)benzoic acid-d4; 1-(6-Hydroxy-2-propylheptyl) hydrogen 1,2-benzenedicarboxylate-d4
IUPAC Name	2,3,4,5-tetradeuterio-6-(6-hydroxy-2-propylheptoxy)carbonylbenzoic acid
Related CAS	1372605-11-2 (unlabelled)
Canonical SMILES	CCCC(CCCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C18H26O5/c1-3-7-14(9-6-8-13(2)19)12-23-18(22)16-11-5-4-10-15(16)17(20)21/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H,20,21)/i4D,5D,10D,11D
InChI Key	KNDRVUYMYPIFIU-MHKQSWFVSA-N
Purity	95%; ≥95% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C