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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-[13C6]

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General Information
Catalog: BLP-010632
CAS: 1173020-24-0
Molecular Formula: C8[13C]6H22O
Molecular Weight: 212.28
Chemical Structure
4-tert-Octylphenol-[13C6]
Description 4-tert-Octylphenol-[13C6] is the labelled analogue of 4-tert-Octylphenol, 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-13C6; 4-(1,1,3,3-Tetramethylbutyl)phenol-13C6; 4-(2,4,4-Trimethylpentan-2-yl)phenol-13C6; NSC 5427-13C6; NSC 7248-13C6; 4-tert-OP-13C6
IUPAC Name 4-(2,4,4-trimethylpentan-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Related CAS 140-66-9 (unlabelled)
Isomeric SMILES CC(C)(C)CC(C)(C)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
Canonical SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
InChI InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3/i6+1,7+1,8+1,9+1,11+1,12+1
InChI Key ISAVYTVYFVQUDY-UJYFPCGESA-N
Melting Point 68-70°C
Purity ≥98%; ≥99% atom 13C
Solubility Slightly soluble in Chloroform, Methanol
Appearance White to Off-white Solid
Storage Store at 2-8°C
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