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Merck
CN

135283

Sigma-Aldrich

4-仲丁基苯酚

96%

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About This Item

线性分子式:
C2H5CH(CH3)C6H4OH
CAS号:
分子量:
150.22
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:

方案

96%

表单

solid

沸点

135-136 °C/25 mmHg (lit.)

mp

46-59 °C (lit.)

SMILES字符串

CCC(C)c1ccc(O)cc1

InChI

1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3

InChI key

ZUTYZAFDFLLILI-UHFFFAOYSA-N

基因信息

rat ... Ar(24208)

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应用

4-sec-Butylphenol was used in biotransformation of 4-sec-Butylphenol by hydrocarbon utilizing bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica.

生化/生理作用

4-sec-Butylphenol has estrogenic properties. It induces the CYP102 (Cytochrome P450BM-3) in Bacillus megaterium.

象形图

CorrosionEnvironment

警示用语:

Danger

危险声明

危险分类

Aquatic Acute 1 - Skin Corr. 1B

储存分类代码

8A - Combustible corrosive hazardous materials

WGK

WGK 2

闪点(°F)

240.8 °F - closed cup

闪点(°C)

116 °C - closed cup

个人防护装备

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

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Veronika Hahn et al.
Applied microbiology and biotechnology, 97(18), 8329-8339 (2013-08-06)
The environmental pollutant 4-sec-butylphenol (4-sec-BP) which possesses estrogenic properties was transformed by the aerobic Gram-positive bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica into three main products (P1-P3) which were isolated and structurally characterized in detail. Two of them were products of
N E Hopkins et al.
Biochemical and biophysical research communications, 244(3), 868-872 (1998-04-16)
CYP102 (Cytochrome P450BM-3) is induced in Bacillus megaterium by barbiturates, peroxisome proliferators, and nonsteroidal anti-inflammatory drugs. We now describe the induction of CYP102 in B. megaterium by 17 beta-estradiol and by 4-sec-butylphenol. These estrogens interact with the repressor protein Bm3R1
Gabino Bolívar-Subirats et al.
Environmental science and pollution research international, 27(33), 41314-41325 (2020-07-18)
The aim of this study was to develop a high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS)-based method for the multiresidue analysis of 21 plastic additives in river water. Analysed compounds included phthalates, benzophenone, bisphenol A and long- and short-chain alkylphenols (APs)
Markus A Lill et al.
Journal of medicinal chemistry, 48(18), 5666-5674 (2005-09-02)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis, we simulated the
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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