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124281

Sigma-Aldrich

3-tert-Butylphenol

99%

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About This Item

Fórmula linear:
(CH3)3CC6H4OH
Número CAS:
585-34-2
Peso molecular:
150.22
Número CE:
209-553-4
Número MDL:
MFCD00002300
Código UNSPSC:
12352100
ID de substância PubChem:
24847608
NACRES:
NA.22

Ensaio

99%

pb

125-130 °C/20 mmHg (lit.)

pf

44-46 °C (lit.)

cadeia de caracteres SMILES

CC(C)(C)c1cccc(O)c1

InChI

1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3

chave InChI

CYEKUDPFXBLGHH-UHFFFAOYSA-N

Informações sobre genes

mouse ... Esr1(13982)

Categorias relacionadas

Descrição geral

3-tert-Butylphenol undergoes stereoselective hydrogenation over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent.

Aplicação

3-tert-Butylphenol has been used to study the effect of alkyl group on the phenol ring on the estrogenic potency of alkylphenolic compounds in the yeast screen.

Outras notas

Contains 4-tert-butylphenol

Pictogramas

Corrosion
GHS05

Palavra indicadora

Danger

Frases de perigo

H314

Classificações de perigo

Eye Dam. 1 - Skin Corr. 1B

Código de classe de armazenamento

8A - Combustible corrosive hazardous materials

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

228.2 °F - closed cup

Ponto de fulgor (°C)

109 °C - closed cup

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Certificados de análise (COA)

Busque Certificados de análise (COA) digitando o Número do Lote do produto. Os números de lote e remessa podem ser encontrados no rótulo de um produto após a palavra “Lot” ou “Batch”.

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Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent.
Hiyoshi N, et al.
J. Catal., 252(1), 57-68 (2007)
Tadashi Toyama et al.
Biodegradation, 21(2), 157-165 (2009-08-26)
A novel bacterium capable of utilizing 2-sec-butylphenol as the sole carbon and energy source, Pseudomonas sp. strain MS-1, was isolated from freshwater sediment. Within 30 h, strain MS-1 completely degraded 1.5 mM 2-sec-butylphenol in basal salt medium, with concomitant cell
E J Routledge et al.
The Journal of biological chemistry, 272(6), 3280-3288 (1997-02-07)
The ability of certain man-made chemicals to mimic the effects of natural steroid hormones and their potential to disrupt the delicate balance of the endocrine system in animals are of increasing concern. The growing list of reported hormone-mimics includes the
Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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