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4-tert-Octylphenol Diethoxylate-[13C6]

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General Information
Catalog: BLP-010630
CAS: 1173020-69-3
Molecular Formula: C12[13C]6H30O3
Molecular Weight: 300.38

Chemical Structure

Description	4-tert-Octylphenol Diethoxylate-[13C6] is the labelled analogue of 4-tert-Octylphenol Diethoxylate, which is a common environmental pollutant showing weak estrogenic effect. It has been shown to cause damage to the male reproductive system in vertebrates.
Synonyms	4-tert-Octylphenol Diethoxylate 13C6; 2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanol-13C6; 2-[2-[p-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanol-13C6; OP2EO-13C6
IUPAC Name	2-[2-[4-(2,4,4-trimethylpentan-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyethoxy]ethanol
Related CAS	2315-61-9 (unlabelled)
Isomeric SMILES	CC(C)(C)CC(C)(C)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)OCCOCCO
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChI	InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3/i6+1,7+1,8+1,9+1,15+1,16+1
InChI Key	LBCZOTMMGHGTPH-CJFYFUKZSA-N
Purity	≥98%; ≥99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol; Soluble in Acetone
Appearance	Clear Colorless Oily Matter
Storage	Store at 2-8°C