Bisphenol B-13C12

CAS: 77-40-7

Ref. TR-B519569

Product Information

• Name: Bisphenol B-13C12
• Synonyms: 4,4'-(butane-2,2-diyl)bis(phenol-13C6), 2,2-Bis(4-Hydroxy phenyl)butane, 2,2-Bis(4-Hydroxy phenyl)butane (Bisphenol B), 2,2-Bis(4-Hydroxyphenyl)Butane, 2,2-Bis(P-Hydroxyphenyl)Butane, 4,4'-(1-Methylpropylidene)Bisphenol, 4,4'-Butane-2,2-Diyldiphenol, 4,4′-(1-Methylpropylidene)bis[phenol], 4,4′-Dihydroxy-2,2-diphenylbutane, 4,4′-sec-Butylidenediphenol, Bis(4-hydroxyphenyl)methylethylmethane, Bisphenol B, Butane, 2,2-bis(4-hydroxyphenyl)-, NSC 1775, P,P'-Sec-Butylidenediphenol, Phenol, 4,4′-(1-methylpropylidene)bis-, Phenol, 4,4′-sec-butylidenedi-, p,p'-Dihydroxy-2,2-diphenylbutane

Description

Applications Bisphenol B-13C12 is the isotope labelled analog of Bisphenol B. Bisphenol B, is the analouge of Bisphenol A (B519495), which is used to make certain plastic an epoxy resins. BPA and its analogs, are also shown to activate human pregnane X receptor (PXR), a nuclear receptor that functions as a master regulator of xenobiotic metabolism.
References Yipeng, S., et al.: Env Hea. Pers., 120, 399 (2012); Krishnan, A.V., et al.: Endocrinology, 132, 2279 (1993); Steinmetz, R., et al.: Trends Endocrinol. Metab., 9, 124 (1998), Petersen, H., et al.: Eur. Food Res. Technol., 216, 355 (2003);

• Brand: TRC

Chemical properties

• Molecular weight: 254.23
• Formula: C₄C₁₂H₁₈O₂
• Color/Form: Neat
• InChI: InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3/i4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1
• InChI key: InChIKey=HTVITOHKHWFJKO-MWDCNEGOSA-N
• SMILES: CCC(C)([13c]1[13cH][13cH][13c](O)[13cH][13cH]1)[13c]1[13cH][13cH][13c](O)[13cH][13cH]1