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Merck
CN

50877

Bisphenol B

analytical standard

Synonym(s):

2,2-Bis(4-hydroxyphenyl)butane, 4,4′-sec-Butylidenediphenol, NSC 1775

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About This Item

Empirical Formula (Hill Notation):
C16H18O2
CAS Number:
77-40-7
Molecular Weight:
242.31
EC Number:
201-025-1
MDL number:
MFCD00020179
UNSPSC Code:
41116107
PubChem Substance ID:
329757646
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

Assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

format

neat

SMILES string

OC(C=C1)=CC=C1C(C)(CC)C2=CC=C(O)C=C2

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

InChI key

HTVITOHKHWFJKO-UHFFFAOYSA-N

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General description

Bisphenol B is a congener of bisphenol A, used primarily for the manufacturing of phenolic resins and is also a potent food contaminant.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Application

Bisphenol B may be used as a reference standard for the determination of bisphenol B in liquid food matrices and powdered infant formulae and human urine samples by using dispersive liquid-liquid microextraction (DLLME) with in situ derivatization coupled with heart-cutting gas chromatography-mass spectrometry (GC-MS).

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319,H413

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF7676V
BCCH9692
BCCD3481
BCBX0179
BCBS0967V

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Simultaneous determination of bisphenol A and bisphenol B in beverages and powdered infant formula by dispersive liquid-liquid micro-extraction and heart-cutting multidimensional gas chromatography-mass spectrometry.
Cunha SC, et al.
Food Additives and Contaminants, 28(4), 513-526 (2011)
Quantification of free and total bisphenol A and bisphenol B in human urine by dispersive liquid-liquid microextraction (DLLME) and heart-cutting multidimensional gas chromatography-mass spectrometry (MD-GC/MS).
Cunha SC and Fernandes JO
Talanta, 83(1), 117-125 (2010)
Cecilie N Ramskov Tetzlaff et al.
Environmental toxicology, 35(5), 543-552 (2019-12-11)
Bisphenol A (BPA) has been widely reported to exert endocrine disrupting effects, including the induction of adipogenesis in cultured preadipocytes and intact animals. Because of the potential harm to human health, BPA is being substituted by structurally related bisphenols. Whether
Antía Lestido Cardama et al.
Polymers, 11(12) (2019-12-19)
The coatings used in cans can release complex chemical mixtures into foodstuffs. Therefore, it is important to develop analytical methods for the identification of these potential migrant compounds in packaged food to guarantee the compliance with European food packaging legislation

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