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124281

Sigma-Aldrich

3-tert-Butylphenol

99%

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

Quality Level

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)

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This Item
B99405B99901290823
3-tert-Butylphenol 99%

Sigma-Aldrich

124281

3-tert-Butylphenol

2-tert-Butylphenol 99%

Sigma-Aldrich

B99405

2-tert-Butylphenol

4-tert-Butylphenol 99%

Sigma-Aldrich

B99901

4-tert-Butylphenol

4-tert-Octylphenol 97%

Sigma-Aldrich

290823

4-tert-Octylphenol

bp

125-130 °C/20 mmHg (lit.)

bp

224 °C (lit.)

bp

236-238 °C (lit.)

bp

175 °C/30 mmHg (lit.)

mp

44-46 °C (lit.)

mp

−7 °C (lit.)

mp

96-101 °C (lit.)

mp

79-82 °C (lit.)

Gene Information

mouse ... Esr1(13982)

Gene Information

mouse ... Esr1(13982)

Gene Information

mouse ... Esr1(13982)
rat ... Ar(24208)

Gene Information

mouse ... Esr1(13982)

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

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Customers Also Viewed

Slide 1 of 5

1 of 5

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)
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
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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