CAS 1219794-55-4

4-N-OCTYL-D17-PHENOL

Description:

4-N-Octyl-D17-phenol, with the CAS number 1219794-55-4, is a chemical compound that belongs to the class of phenolic compounds. It features a long octyl chain, which contributes to its hydrophobic properties, making it less soluble in water but more soluble in organic solvents. The presence of the deuterated D17 label indicates that the compound contains deuterium, a stable isotope of hydrogen, which can be useful in various analytical applications, including NMR spectroscopy. This compound is often utilized in research settings, particularly in studies involving surfactants, emulsifiers, or as a model compound in environmental chemistry. Its phenolic structure allows it to participate in hydrogen bonding and other interactions, influencing its reactivity and stability. Additionally, the octyl group enhances its lipophilicity, which can affect its behavior in biological systems and its potential environmental impact. Overall, 4-N-Octyl-D17-phenol is a specialized compound with unique properties that make it valuable for specific scientific applications.

Formula: C₁₄H₅D₁₇O

InChI: InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2

InChI key: InChIKey=NTDQQZYCCIDJRK-OISRNESJSA-N

SMILES: C(C(C(C(C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])(C1=CC=C(O)C=C1)([2H])[2H]

Synonyms:

• 4-N-OCTYL-D17-PHENOL
• 4-N-OCTYLPHENOL-D17

4-n-Octyl-d17-phenol

CAS: 1219794-55-4

Formula: CD₃(CD₂)₇C₆H₄OH

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 223.27377

Ref: 3U-D6102

4-n-Octyl-d17-phenol

Controlled Product

CAS: 1219794-55-4

Applications 4-n-Octyl-d17-phenol (CAS# 1219794-55-4) is the isotopically labelled version of 4-Octylphenol (O293775(M)), which is a weak estrogenic disruptor on the induction of mammary carcinomas (MC) and benign proliferative lesions (PL) induced by DMBA (7,12-dimethylbenz[a]anthracene). 4-Octylphenol is a contaminant of emerging concern (CECs)
References Cook, J., et al.: Toxicol. Sci., 44, 155 (1998), Kawaguchi, H., et al.: J. Toxicol. Pathol., 13, 77 (2000), Ambrosone, C., et al.: Arch. Biochem. Biophys., 464, 169 (2007),

Formula: C₁₄D₁₇H₅O

Color and Shape: White To Light Brown

Molecular weight: 223.43

Ref: TR-O293776

4-n-Octyl-d17-phenol

CAS: 1219794-55-4

Formula: C₁₄H₅D₁₇O

Color and Shape: Solid

Molecular weight: 223.4300

Ref: IN-DA009BTG