4-(2-Butyl)phenol
4-(2-Butyl)phenol structure
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Common Name | 4-(2-Butyl)phenol | ||
|---|---|---|---|---|
| CAS Number | 99-71-8 | Molecular Weight | 150.21800 | |
| Density | 0.972g/cm3 | Boiling Point | 135-136 °C25 mm Hg(lit.) | |
| Molecular Formula | C10H14O | Melting Point | 46-59 °C(lit.) | |
| MSDS | USA | Flash Point | 240 °F | |
| Symbol |
GHS05, GHS09 |
Signal Word | Danger | |
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) 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 mole... |
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Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.
J. Med. Chem. 48 , 5666-74, (2005) 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... |
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Biotransformation of 4-sec-butylphenol by Gram-positive bacteria of the genera Mycobacterium and Nocardia including modifications on the alkyl chain and the hydroxyl group.
Appl. Microbiol. Biotechnol. 97(18) , 8329-39, (2013) 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 s... |
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Induction of CYP102 (cytochrome P450BM-3) in Bacillus megaterium by 17 beta-estradiol and 4-sec-butylphenol.
Biochem. Biophys. Res. Commun. 244(3) , 868-72, (1998) 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 e... |