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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 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
4-tert-Octylphenol Monoethoxylate-[13C6]
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
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