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42088

Supelco

Bisphenol A

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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Synonym(s):
2,2-Bis(4-hydroxyphenyl)propane, 4,4′-Isopropylidenediphenol
Linear Formula:
(CH3)2C(C6H4OH)2
CAS Number:
80-05-7
Molecular Weight:
228.29
Beilstein:
1107700
EC Number:
201-245-8
MDL number:
MFCD00002366
PubChem Substance ID:
329756187
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

300

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

220 °C/4 mmHg (lit.)

mp

158-159 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

InChI

1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

InChI key

IISBACLAFKSPIT-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Ion Mobility: TWCCSN2 value of 158.8 Å2 [M-H]-

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 42088 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Recommended products

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.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Repr. 1B - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

440.6 °F - closed cup

Flash Point(C)

227 °C - closed cup

Certificates of Analysis (COA)

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705578-5MG-PW

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Elin Engdahl et al.
International journal of molecular sciences, 22(11) (2021-06-03)
The breast cancer resistance protein (BCRP) is an important efflux transporter in the blood-brain barrier (BBB), protecting the brain from a wide range of substances. In this study, we investigated if BCRP function is affected by bisphenol A (BPA), a
Raja Rezg et al.
Environment international, 64, 83-90 (2014-01-03)
Bisphenol-A (BPA) is one of the highest volume chemicals produced worldwide, with over 6billion pounds produced and over 100t released into the atmosphere each year. Recent extensive literature has raised concerns about its possible implication in the etiology of some
Marie Tohmé et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 28(7), 3124-3133 (2014-04-20)
Bisphenol A (BPA) is an endocrine disruptor that displays estrogenic activity. Several reports suggest that BPA may have estrogen receptor-independent effects. In zebrafish, 50 μM BPA exposure induces otic vesicle abnormalities, including otolith aggregation. The purpose of this study was
James A Rogers et al.
Molecular immunology, 53(4), 421-430 (2012-11-06)
Endocrine disrupting chemicals (EDCs) have become of concern for a variety f health issues. Due to their effects on the endocrine system they have been thoroughly examined with regards to sexual dysfunction, malformation, and cancers of reproductive origin. Bisphenol-A (BPA)
Albert A Koelmans et al.
Environmental pollution (Barking, Essex : 1987), 187, 49-54 (2014-01-21)
It is often assumed that ingestion of microplastics by aquatic species leads to increased exposure to plastic additives. However, experimental data or model based evidence is lacking. Here we assess the potential of leaching of nonylphenol (NP) and bisphenol A
View All Related Papers

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GC/MS/MS Analysis of Bisphenol A (BPA) in a Fruit Flavored Energy Drink on the SLB-PAHms Column After SPME Using an Overcoated SPME Fiber

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Extractables Study with LC-UV/MS

Reliable identification and quantification of unknown extractables of a single-use system (SUS) with a 21 component CRM mix for liquid chromatography (LC-UV/MS) methods using Ascentis® C18 column.

Protocols

Bisphenol A Analysis in Food by SPME

Overcoated SPME fiber enables low-level BPA analysis in food via SPME-GC-MS/MS, meeting tighter migration limit regulations.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

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