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4-Phenylbutyric Acid-[13C6]

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Application Area

Metabolic Research

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

Environmental

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

Clinical diagnostic

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

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

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

Environmental

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

4-Phenylbutyric Acid-[13C6]

Name: 4-Phenylbutyric Acid-[13C6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-002969
CAS: 1346602-38-7
Molecular Formula: C4[13C]6H12O2
Molecular Weight: 170.16

Chemical Structure

Synonyms	4-Phenylbutyric Acid-13C6; Benzene-13C6-butanoic Acid; γ-Phenyl-13C6-butanoic Acid
IUPAC Name	4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)butanoic acid
Related CAS	1821-12-1 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)CCCC(=O)O
InChI	InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,9+1
InChI Key	OBKXEAXTFZPCHS-SJOJKWQCSA-N
Melting Point	48-50 °C
Purity	≥ 98% by HPLC; ≥ 99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	2-8 °C