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Bisphenol B - ≥98.0%(HPLC), high purity , CAS No.77-40-7

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Bisphenol B - ≥98.0%(HPLC), high purity , CAS No.77-40-7

53 Citations

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 77-40-7
Molecular Weight: 242.32
MDL number: MFCD00020179
PubChem CID: 66166
PubChem SID: 488183746

In stock

Item Number

B135300

Grouped product items
SKU	Size	Availability	Price
B135300-5g	5g	3	$124.90
B135300-25g	25g	1	$297.90
B135300-100g	100g	2	$1,070.90

View related series

alcohol (850) Metabolite (5307) Non heterocyclic block (8163)

Basic Description

Synonyms	Butane, 2,2-bis(4-hydroxyphenyl)- \| Bisphenol B \| H3W \| NCGC00254184-01 \| Tox21_300198 \| D83792 \| 4,2-butane \| Butane,2-bis(p-hydroxyphenyl)- \| SCHEMBL68287 \| Tox21_202222 \| AI3-17395 \| BIDD:ER0203 \| Bisphenol B 100 microg/mL in Methanol \| 4,4'-sec-Butyli
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	Bisphenol B is a congener of bisphenol A, used primarily for the manufacturing of phenolic resins and is also a potent food contaminant. 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 samplesby using dispersive liquid-liquid microextraction (DLLME) with in situ derivatization coupled with heart-cutting gas chromatography-mass spectrometry (GC-MS).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Bisphenols
Alternative Parents	Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bisphenol - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
External Descriptors	bisphenol
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183746
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183746
IUPAC Name	4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
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
InChIKey	HTVITOHKHWFJKO-UHFFFAOYSA-N
Smiles	CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Isomeric SMILES	CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
RTECS	SM1210200
Molecular Weight	242.32
Reaxy-Rn	1913172
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913172&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
E2306277	Certificate of Analysis	Feb 07, 2025	B135300
E2306271	Certificate of Analysis	Feb 07, 2025	B135300
E2306357	Certificate of Analysis	Feb 07, 2025	B135300
E2306358	Certificate of Analysis	Feb 07, 2025	B135300
E2306269	Certificate of Analysis	Feb 07, 2025	B135300
G2219166	Certificate of Analysis	May 15, 2024	B135300
G2219167	Certificate of Analysis	May 15, 2024	B135300
G2219172	Certificate of Analysis	May 15, 2024	B135300
J2126228	Certificate of Analysis	Aug 22, 2023	B135300

Chemical and Physical Properties

Solubility	Solubility in Methanol almost transparency
Melt Point(°C)	125-128°C
Molecular Weight	242.310 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	242.131 Da
Monoisotopic Mass	242.131 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	226.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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