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Merck

425761

Sigma-Aldrich

4-tert-Butylphenol

purified by sublimation, 99%

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About This Item

Linear Formula:
(CH3)3CC6H4OH
CAS Number:
Molecular Weight:
150.22
Beilstein:
1817334
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

1 mmHg ( 70 °C)

Assay

99%

purified by

sublimation

bp

236-238 °C (lit.)

mp

96-101 °C (lit.)

density

0.908 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccc(O)cc1

InChI

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

InChI key

QHPQWRBYOIRBIT-UHFFFAOYSA-N

Gene Information

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

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General description

4-tert-Butylphenol (t-BP, 4-TBP, p-tert-butylphenol, PTBP) is an alkyl phenol. It is an aquatic pollutant and an endocrine disrupting chemical (EDC).[1] Exposure to 4-TBP is reported to be one of the factors causing vitiligo.[2][3] Its genotoxic potential has been studied by in vivo micronucleus tests in a category approach.[4] The degradation of t-BP in water using UV/micro-aeration process has been investigated.[5] Methods for its determination in water[6] and cereal samples have been reported.[7] The kinetics of chlorination reaction of 4-tert-butylphenol in aqua has been studied.[8] The hydrogenation of PTBP to form cis-4-tert-butylcyclohexanol (PTBCH) with high selectivity in the presence of supported rhodium catalyst has been reported.[9][10] The effect of UV and combined MW–UV irradiation on 4-TBP transformation has been studied.[11]

Application

4-tert-Butylphenol may be used as a sole carbon source for Sphingobium fuliginis strains isolated from rhizosphere sediment of the reed Phragmites australis.[1] It may be used as a precursor to synthesize 4-fluorophenols.[12]

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 1 - Eye Dam. 1 - Repr. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Stereoselective hydrogenation of p-tert-butylphenol over supported rhodium catalyst.
Yadav GD and Goel PK.
J. Mol. Catal. A: Chem., 184(1), 281-288 (2002)
Stereoselective cascade hydrogenation of 4-tert-butylphenol and p-cresol over Zr-zeolite beta- supported rhodium.
Nie Y, et al.
J. Catal., 246(1), 223-231 (2007)
Microwave photochemistry III: Photochemistry of 4-tert-butylphenol.
Cirkva V, et al.
Journal of Photochemistry and Photobiology A: Chemistry, 174(1), 38-44 (2005)
Synthesis of 4-fluorophenols from 4-tert-butylphenols and fluoride sources under oxidative conditions.
Bienvenu A, et al.
Collection of Czechoslovak Chemical Communications, 67(10), 1467-1478 (2002)
Sonnich Meier et al.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, 145(3), 420-430 (2007-03-09)
Offshore oil production releases large amounts of lipophilic compounds in produced water into the ocean. In 2004, 143 million m(3) produced water, containing approximately 13 tons of long-chain (>C(4)) alkylphenols (AP), was discharged from installations in the Norwegian sector of

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