4-n-Octyl-d17-phenol

CAS: 1219794-55-4

Ref. TR-O293776

Product Information

• Name: 4-n-Octyl-d17-phenol
• Synonyms: 4-Octylphenol D17 (octyl D17)

Description

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),

• Brand: TRC

Chemical properties

• Molecular weight: 223.43
• Formula: C₁₄D₁₇H₅O
• Color/Form: White To Light Brown
• 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: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccc(O)cc1