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2,4-Bis(alpha,alpha-dimethylbenzyl)phenol

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol structure

CAS No:
2772-45-4
Formula:
C24H26O
Chemical Name:
2,4-Bis(alpha,alpha-dimethylbenzyl)phenol
Synonyms:
2,4-Bis(;2,4-Bis(alpha,alpha-dimethylbenzyl)phenol 95%;2,4-bis(1-methyl-1-phenylethyl)-pheno;2,4-BIS(ALPHA,ALPHA-DIMETHYLBENZYL)PHENOL;2,4-DI-ALPHA-CUMYLPHENOL;2,4 DI-CUMYLPHENOL;Phenol, 2,4-bis(1-methyl-1-phenylethyl)-;2,4-bis(α,α-dimethylbenzyl)phenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Liquid; OtherSolid

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 ringorthoto the OH group.

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol Basic Attributes

Molecular Weight：

330.46

Exact Mass：

330.46

EC Number：

220-466-0

UNII：

9U10Z6U3JP

TSCA：

TSCA listed

DSSTox ID：

DTXSID7029241

Color/Form：

White to Light yellow

HScode：

2907.19.8000

Characteristics

PSA：

20.2

XLogP3：

7.2

Appearance：

Liquid; OtherSolid

Density：

1.063

Melting Point：

63-65 °C(lit.)

Boiling Point：

206 °C15 mm Hg(lit.)

Flash Point：

204.9±12.0 °C

Refractive Index：

1.6380 (estimate)

Vapor Pressure：

2.15E-08mmHg at 25°C

PKA：

10.71±0.10(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-27-28-36/39

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

26-27-36/39-36

GHS Classification：

|Warning|H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4-bis(alpha,alpha-dimethylbenzyl)phenol

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol Use and Manufacturing

Uses

UV Stabilizer and Antioxidant Intermediate

Intermediates

2,4-bis(2-Phenylpropan-2-yl)phenol is used as a reagent in ring opening polymerization reactions of cyclic esters. It is an intermediate in the synthesis of Benzotriazole BT (B206990), a low volatile benzotriazole UV light absorber and stabilizer.

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).

Manufacturing Info：

All other chemical product and preparation manufacturing|Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: ACTIVE

Computed Properties

Molecular Weight:330.5
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:330.198365449
Monoisotopic Mass:330.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:25
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Bis(alpha,alpha-dimethylbenzyl)phenol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,4-Bis(alpha,alpha-dimethylbenzyl)phenol

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