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Merck
CN

W391808

4-tert-Butylphenol

≥99%, FG

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About This Item

Linear Formula:
(CH3)3CC6H4OH
CAS Number:
98-54-4
Molecular Weight:
150.22
Flavis number:
4.064
PubChem Substance ID:
24901936
UNSPSC Code:
12164502
FEMA Number:
3918
EC Number:
202-679-0
MDL number:
MFCD00002367
Beilstein/REAXYS Number:
1817334

Key Documents

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biological source

synthetic

grade

FG

reg. compliance

EU Regulation 1334/2008 & 872/2012

vapor pressure

1 mmHg ( 70 °C)

assay

≥99%

bp

236-238 °C (lit.)

mp

96-101 °C (lit.)

solubility

ethanol: 50 mg/mL, clear, colorless

density

0.908 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

leather

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 is an alkylphenolic compound that can be used as a flavoring agent. It is also a component of adhesives and polymers used for food packaging.

signalword

Danger

Hazard Classifications

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

Storage Class

13 - Non 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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBG1071V
STBG0045V
STBF5518V
STBF2509V
STBF3975V

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Yuka Ogata et al.
Biodegradation, 24(2), 191-202 (2012-07-11)
Although 4-tert-butylphenol (4-t-BP) is a serious aquatic pollutant, its biodegradation in aquatic environments has not been well documented. In this study, 4-t-BP was obviously and repeatedly removed from water from four different environments in the presence of Spirodela polyrrhiza, giant
Lei Lei et al.
Ecotoxicology (London, England), 19(7), 1268-1276 (2010-06-17)
Landfill leachates contain a large amount of unknown harmful compounds derived from domestic and industrial sources. A toxicity effect-directed approach was used to identify biologically active compounds in three landfill leachate samples (S1-S3) by combining the Microtox test with reverse-phase
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
Pierre Etienne Chabrier et al.
CNS drug reviews, 13(3), 317-332 (2007-09-27)
BN82451 belongs to a new family of small molecules designated as multitargeting or hybrid molecules. BN82451 is orally active, has good central nervous system penetration, and elicits potent neuronal protection and antiinflammatory properties. Neuronal protection is due to Na+ channel
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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