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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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
4-tert-Octylphenol Diethoxylate-[13C6]
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
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