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599-64-4,MFCD00002365
Catalog No.:AA0033XS

599-64-4 | 4-(2-Phenylpropan-2-yl)phenol

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25g
98%
in stock  
$13.00   $9.00
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100g
98%
in stock  
$21.00   $15.00
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500g
98%
in stock  
$38.00   $27.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033XS
Chemical Name:
4-(2-Phenylpropan-2-yl)phenol
CAS Number:
599-64-4
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
MDL Number:
MFCD00002365
SMILES:
Oc1ccc(cc1)C(c1ccccc1)(C)C
NSC Number:
6237
Properties
Properties
 
BP:
335°C at 760 mmHg  
Form:
Solid  
MP:
72-75 °C  
Refractive Index:
1.5725 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
208  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Upstream Synthesis Route

[1]Patent:US2012/108853,2012,A1,

[2]Patent:US2012/108853,2012,A1,

[3]Patent:US2012/108853,2012,A1,

[4]Patent:US2012/108853,2012,A1,

[5]Patent:US2012/108853,2012,A1,

[6]Patent:US2012/108853,2012,A1,

Downstream Synthesis Route

[1]Welsh;Drake[JournaloftheAmericanChemicalSociety,1938,vol.60,p.59,61]

[1]Panov,E.P.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1976,vol.12,p.827-832][ZhurnalOrganicheskoiKhimii,1976,vol.12,p.824-830]

2832-19-1    599-64-4   
2-Chloro-N-2-hydroxy-5-(1-methyl-1-phenyl-ethyl)-benzyl-acetamide 

[1]JournalofMedicinalChemistry,1980,vol.23,p.1414-1427

[1]JournalofOrganicChemistry,1960,vol.25,p.1590-1595

599-64-4    588-96-5   
1-(p-α-Cumyl-phenoxy)-4-aethoxy-benzol 

[1]JournalofOrganicChemistry,1960,vol.25,p.1590-1595

Literature

Title: Incorporation of metabolic enzymes to improve predictivity of reporter gene assay results for estrogenic and anti-androgenic activity.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20180101

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

Journal: Chemosphere 20161101

Title: Are structural analogues to bisphenol a safe alternatives?

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

Title: A characteristic back support structure in the bisphenol A-binding pocket in the human nuclear receptor ERRγ.

Journal: PloS one 20140101

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

Journal: Scientific reports 20140101

Title: Development of sensitive direct and indirect enzyme-linked immunosorbent assays (ELISAs) for monitoring bisphenol-A in canned foods and beverages.

Journal: Analytical and bioanalytical chemistry 20120601

Title: Determination of endocrine-disrupting phenols in water samples by a new manual shaking-enhanced, ultrasound-assisted emulsification microextraction method.

Journal: The Analyst 20120507

Title: Seasonal distribution, source investigation and vertical profile of phenolic endocrine disrupting compounds in Dianchi Lake, China.

Journal: Journal of environmental monitoring : JEM 20120401

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

Journal: Environmental health perspectives 20120301

Title: BPA and PXR activation: human receptor is affected, mouse receptor is not.

Journal: Environmental health perspectives 20120301

Title: Distribution and bioaccumulation of steroidal and phenolic endocrine disrupting chemicals in wild fish species from Dianchi Lake, China.

Journal: Environmental pollution (Barking, Essex : 1987) 20111001

Title: Sonolytic degradation of endocrine disrupting chemical 4-cumylphenol in water.

Journal: Ultrasonics sonochemistry 20110901

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

Title: Tailored TiO2 layers for the photocatalytic ozonation of cumylphenol, a refractory pollutant exerting hormonal activity.

Journal: Chemical communications (Cambridge, England) 20110307

Title: Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.

Journal: Chemico-biological interactions 20101205

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Dispersive liquid-liquid microextraction versus single-drop microextraction for the determination of several endocrine-disrupting phenols from seawaters.

Journal: Talanta 20100315

Title: Renal Tubular Cyst Formation in Newborn Rats Treated with p-Cumylphenol.

Journal: Journal of toxicologic pathology 20090601

Title: ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner.

Journal: Biochemical and biophysical research communications 20080829

Title: Micelle-mediated extractions using nonionic surfactant mixtures and HPLC-UV to determine endocrine-disrupting phenols in seawaters.

Journal: Analytical and bioanalytical chemistry 20080601

Title: [Status of trace organic pollution in the network water came from Huangpu River].

Journal: Wei sheng yan jiu = Journal of hygiene research 20080301

Title: Direct evidence revealing structural elements essential for the high binding ability of bisphenol A to human estrogen-related receptor-gamma.

Journal: Environmental health perspectives 20080101

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

Journal: Journal of molecular graphics & modelling 20061101

Title: Comparative susceptibility of newborn and young rats to six industrial chemicals.

Journal: Congenital anomalies 20051201

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: [Studies on chemical constitutes of green alga Chaetomorpha basiretorsa and their bioactivity].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050801

Title: Estrogenic activity of impurities in industrial grade bisphenol A.

Journal: Environmental science & technology 20050515

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

Journal: Toxicology 20030201

Title: Male-specific suppression of hepatic microsomal UDP-glucuronosyl transferase activities toward sex hormones in the adult male rat administered bisphenol A.

Journal: The Biochemical journal 20021215

Title: Identification of unknown surfactants using electrospray mass spectrometry and NMR spectroscopy preceded by liquid ionization mass spectrometry.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020501

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

Journal: Toxicology 20020115

Title: Measurement of estrogenic activity of chemicals for the development of new dental polymers.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20010101

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