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Merck

B99901

4-tert-Butylphenol

99%

Synonym(s):

4-(1,1-Dimethylethyl)phenol, Butylphen, PTBP, p-tert-Butylphenol

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About This Item

Linear Formula:
(CH3)3CC6H4OH
CAS Number:
98-54-4
Molecular Weight:
150.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892165
EC Number:
202-679-0
Beilstein/REAXYS Number:
1817334
MDL number:
MFCD00002367
Assay:
99%
Form:
powder

Key Documents

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InChI key

QHPQWRBYOIRBIT-UHFFFAOYSA-N

InChI

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

SMILES string

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

vapor pressure

1 mmHg ( 70 °C)

assay

99%

form

powder

bp

236-238 °C (lit.)

mp

96-101 °C (lit.)

density

0.908 g/mL at 25 °C (lit.)

Quality Level

200

Gene Information

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

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General description

4-tert-Butylphenol is a phenol derivative. Its contact with skin may lead to leukoderma. It is widely used in the polymer industry. Reaction of 4-tert-Butylphenol with mushroom tyrosinase has been reported to afford 4-t-butyl-o-benzoquinone and kinetics of this enzymatic reaction has been investigated.

Application

4-tert-Butylphenol is suitable reagent used in kinetic study of hydroxylation of 4-tert-butylphenol by mushroom tyrosinase. It may be used in the synthesis of calix[7]arene.
4-tert-Butylphenol may be employed as carbon and energy supplement in the culture medium of Sphingobium fuliginis strains.

signalword

Danger

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Hazard Classifications

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

98-54-4

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF0889
BCCD9422
BCCB7566
BCCB0241
BCBZ4524

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K Thörneby-Andersson et al.
Pigment cell research, 13(1), 33-38 (2000-04-13)
Exposure of the skin to certain phenols or catechols such as 4-tert-butylphenol (TBP) and 4-tert-butylcatechol (TBC) may cause leukoderma. These substances are used in the polymer industry and numerous cases have been reported. Several theories of the mechanism for chemical
Calix [7] arene from 4-tert-butylphenol and formaldehyde.
Nakamoto Y and Ishida S-I.
Makromol. Chem., Rapid Commun., 3(10), 705-707 (1982)
J R Ros et al.
European journal of biochemistry, 222(2), 449-452 (1994-06-01)
The reaction between 4-tert-butylphenol (BuPhOH) and mushroom tyrosinase was investigated by following 4-tert-butyl-ortho-benzoquinone, whose high stability permits the reaction to be used as a model for the study of the monophenolase activity of tyrosinase. The system evolves to a pseudo-steady
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
J Pablo Lamas et al.
Analytical and bioanalytical chemistry, 394(8), 2231-2239 (2009-07-07)
A method for the determination of dimethyl fumarate (DMF), benzothiazole (BT) and tert-butylphenol (TBP) in desiccant and antimould agents employed for protecting consumer products from humidity and mould has been developed. The method is based on ultrasound-assisted extraction (UAE) followed
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