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77-40-7,MFCD00020179
Catalog No.:AA003B0D

77-40-7 | 2,2-Bis(4-hydroxyphenyl)butane

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Purity
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5g
97%
in stock  
$16.00   $11.00
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10g
97%
in stock  
$25.00   $18.00
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25g
97%
in stock  
$50.00   $35.00
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100g
97%
in stock  
$154.00   $108.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003B0D
Chemical Name:
2,2-Bis(4-hydroxyphenyl)butane
CAS Number:
77-40-7
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
MDL Number:
MFCD00020179
SMILES:
CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
NSC Number:
1775
Properties
Properties
 
BP:
412.2 °C at 760 mmHg  
Form:
Solid  
MP:
126 °C  
Refractive Index:
1.6000 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
3.9  

Literature

Title: Bisphenol A and its analogs bisphenol B, bisphenol F, and bisphenol S: Comparative in vitro and in vivo studies on the sperms and testicular tissues of rats.

Journal: Chemosphere 20181001

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Bisphenol AF and Bisphenol B Exert Higher Estrogenic Effects than Bisphenol A via G Protein-Coupled Estrogen Receptor Pathway.

Journal: Environmental science & technology 20171003

Title: Editor's Highlight: Transcriptome Profiling Reveals Bisphenol A Alternatives Activate Estrogen Receptor Alpha in Human Breast Cancer Cells.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20170801

Title: Parallel assessment of the effects of bisphenol A and several of its analogs on the adult human testis.

Journal: Human reproduction (Oxford, England) 20170701

Title: Thyroid hormone disrupting potentials of bisphenol A and its analogues - in vitro comparison study employing rat pituitary (GH3) and thyroid follicular (FRTL-5) cells.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20170401

Title: In vitro and in silico assessment of the structure-dependent binding of bisphenol analogues to glucocorticoid receptor.

Journal: Analytical and bioanalytical chemistry 20170301

Title: Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships.

Journal: Chemosphere 20161101

Title: In vivo and in silico analyses of estrogenic potential of bisphenol analogs in medaka (Oryzias latipes) and common carp (Cyprinus carpio).

Journal: Ecotoxicology and environmental safety 20151001

Title: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20150201

Title: Defining estrogenic mechanisms of bisphenol A analogs through high throughput microscopy-based contextual assays.

Journal: Chemistry & biology 20140619

Title: Are structural analogues to bisphenol a safe alternatives?

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20140501

Title: Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway.

Journal: Scientific reports 20140101

Title: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays.

Journal: Chemical research in toxicology 20130617

Title: Determination of bisphenol A and bisphenol B in canned seafood combining QuEChERS extraction with dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry.

Journal: Analytical and bioanalytical chemistry 20121101

Title: Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure.

Journal: Environmental science & technology 20120821

Title: Effects of some endocrine disruptors on cell cycle progression and murine dendritic cell differentiation.

Journal: General and comparative endocrinology 20120801

Title: Bisphenol A and its analogues activate human pregnane X receptor.

Journal: Environmental health perspectives 20120301

Title: Biodegradation of bisphenols with immobilized laccase or tyrosinase on polyacrylonitrile beads.

Journal: Biodegradation 20110601

Title: High content imaging-based assay to classify estrogen receptor-α ligands based on defined mechanistic outcomes.

Journal: Gene 20110515

Title: 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.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110401

Title: Measurement of bisphenol A and bisphenol B levels in human blood sera from healthy and endometriotic women.

Journal: Biomedical chromatography : BMC 20091101

Title: Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater.

Journal: Bioscience, biotechnology, and biochemistry 20070101

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Biodegradation of a variety of bisphenols under aerobic and anaerobic conditions.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20060101

Title: Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

Journal: Journal of medicinal chemistry 20050908

Title: Potent estrogenic metabolites of bisphenol A and bisphenol B formed by rat liver S9 fraction: their structures and estrogenic potency.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20040301

Title: Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.

Journal: Toxicology 20030201

Title: Comparison of reporter gene assay and immature rat uterotrophic assay of twenty-three chemicals.

Journal: Toxicology 20020115

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Tags:77-40-7 Molecular Formula|77-40-7 MDL|77-40-7 SMILES|77-40-7 2,2-Bis(4-hydroxyphenyl)butane |Organic_Building_Blocks