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372129

Sigma-Aldrich

2,4-Bis(α,α-dimethylbenzyl)phenol

95%

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About This Item

Linear Formula:
[C6H5C(CH3)2]2C6H3OH
CAS Number:
2772-45-4
Molecular Weight:
330.46
EC Number:
220-466-0
MDL number:
MFCD00191242
UNSPSC Code:
12352100
PubChem Substance ID:
24863020
NACRES:
NA.22

Assay

95%

form

solid

bp

206 °C/15 mmHg (lit.)

mp

63-65 °C (lit.)

SMILES string

CC(C)(c1ccccc1)c2ccc(O)c(c2)C(C)(C)c3ccccc3

InChI

1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3

InChI key

FMUYQRFTLHAARI-UHFFFAOYSA-N

General description

2,4-Bis(α,α-dimethylbenzyl)phenol is reported to possess antihistaminic activity. Structure of 2,4-bis(α,α-dimethylbenzyl)phenol is reported to have a torsion angle of 129.95(13)° for the C-C bond that connects the benzyl carbon to the phenol ring ortho to the OH group.

Application

2,4-Bis(α,α-dimethylbenzyl)phenol may be used in the preparation of a novel ligand, 2,2′-methylenebis(4,6-di(1-methyl-1-phenylethyl)phenol) (MMPEP-H2).

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H319,H410

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
10815TF
00421EU
28903

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Bryan
Acta crystallographica. Section C, Crystal structure communications, 56 (Pt 8), 1046-1047 (2000-08-16)
The structure of the title compound, 2, 4-bis(1-methyl-1-phenylethyl)phenol, C(24)H(26)O, was found to have a torsion angle of 129.95 (13) degrees for the C-C bond that connects the benzyl carbon to the phenol ring ortho to the OH group. A value
Zhuo Wang et al.
Journal of chromatography. A, 1616, 460793-460793 (2019-12-24)
With 4,4'-diaminoterphenyl and phloroglucinol as the monomers, Azo-linked porous organic polymer (PP) was prepared by a green mild azo reaction. Azo-PP is rich in phenolic hydroxyl groups and benzene rings, which can form intermolecular hydrogen bonds with the phenolic hydroxyl
A highly efficient catalyst for the ?living? and ?immortal? polymerization of e-caprolactone and L-lactide.
Liu Y-C, et al.
Macromolecules, 34(18), 6196-6201 (2001)
María J Duart et al.
Journal of medicinal chemistry, 49(12), 3667-3673 (2006-06-09)
Molecular topology was used to achieve a mathematical model capable of classifying compounds according to their antihistaminic activity and low sedative effects. By application of this model of activity to databases containing chemical reagents and drugs exhibiting other pharmacological activity
Alan J Bergmann et al.
Analytical and bioanalytical chemistry, 412(19), 4527-4536 (2020-05-28)
Food contact materials (FCM) may contain complex mixtures of estrogenic chemicals. A yeast estrogen screen performed on high performance thin-layer chromatography plates (planar-YES, P-YES) is promising for analysis of such mixtures, as it could allow for better elucidation of effects

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