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124281

Sigma-Aldrich

3-tert-Butylphenol

99%

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About This Item

Linear Formula:
(CH3)3CC6H4OH
CAS Number:
Molecular Weight:
150.22
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

bp

125-130 °C/20 mmHg (lit.)

mp

44-46 °C (lit.)

SMILES string

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

InChI key

CYEKUDPFXBLGHH-UHFFFAOYSA-N

Gene Information

mouse ... Esr1(13982)

Related Categories

General description

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

Application

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.

Other Notes

Contains 4-tert-butylphenol

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘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
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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