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4-tert-Octylphenol Monoethoxylate-[13C6]

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General Information
Catalog: BLP-010631
CAS: 1173019-48-1
Molecular Formula: C10[13C]6H26O2
Molecular Weight: 256.33

Chemical Structure

Description	4-tert-Octylphenol Monoethoxylate-[13C6] is the labelled analogue of 4-tert-Octylphenol Monoethoxylate, 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 Monoethoxylate 13C6; 2-[p-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol-13C6; 2-(4-tert-Octylphenoxy)ethanol-13C6; 4-tert-Octylphenyl (2-Hydroxyethyl)ether-13C6; OP1EO-13C6; NSC 5259-13C6
IUPAC Name	2-[4-(2,4,4-trimethylpentan-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyethanol
Related CAS	2315-67-5 (unlabelled)
Isomeric SMILES	CC(C)(C)CC(C)(C)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)OCCO
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
InChI	InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3/i6+1,7+1,8+1,9+1,13+1,14+1
InChI Key	JYCQQPHGFMYQCF-FQPQTBQFSA-N
Purity	≥97%; ≥99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Colorless Oil to Off-white Low Melting Solid
Storage	Store at 2-8°C