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137731

Sigma-Aldrich

2,4-Di-tert-butylphenol

99%

Synonym(s):

2,4-Bis(1,1-dimethylethyl)phenol, 2,4-Bis(tert-butyl)phenol, 2,4-Di-tert-butylhydroxybenzene, 2,4-Ditert-butylphenol

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About This Item

Linear Formula:
[(CH3)3C]2C6H3OH
CAS Number:
96-76-4
Molecular Weight:
206.32
Beilstein:
1910383
EC Number:
202-532-0
MDL number:
MFCD00008828
UNSPSC Code:
12352100
PubChem Substance ID:
24848346
NACRES:
NA.22

vapor pressure

1 mmHg ( 84.5 °C)

Quality Level

100

Assay

99%

form

solid

bp

265 °C (lit.)

mp

53-56 °C (lit.)

solubility

water: soluble 0.033 g/L at 25 °C

SMILES string

CC(C)(C)c1ccc(O)c(c1)C(C)(C)C

InChI

1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3

InChI key

ICKWICRCANNIBI-UHFFFAOYSA-N

Gene Information

human ... GABRA1(2554)

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General description

2,4-Di-tert-butylphenol is isolated from the dried body of Scolopendra and possess antioxidative activity.

Application

2,4-Di-tert-butylphenol was used to study its alkylation reaction with cinnamyl alcohol in the presence of Al-substituted disordered hexagonal molecular silica catalysts.

Pictograms

CorrosionEnvironment
GHS05,GHS09

Signal Word

Danger

Hazard Statements

H315,H318,H410

Hazard Classifications

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

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 2

Flash Point(F)

239.0 °F - closed cup

Flash Point(C)

115 °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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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 85(1), 198-209 (2011-10-25)
In the present work, we reported a combined experimental and theoretical study on conformational stability, molecular structure and vibrational spectra of 2,4-di-tert-butylphenol (2,4-DTBP). The FT-IR (400-4000cm(-1)) and FT-Raman spectra (50-3500cm(-1)) of 2,4-DTBP were recorded. The molecular geometry, harmonic vibrational frequencies
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