CAS 123-07-9 4-Ethylphenol - Materials / Alfa Chemistry

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4-Ethylphenol

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Catalog Number

ACM123079

CAS Number

123-07-9

Product Name

4-Ethylphenol

Structure

Category

Liquid Crystal (LC) Building Blocks

Description

Liquid;Solid;Solid;Colourless needle like crystals, powerful, woody phenolic, medicinal, yet rather sweet odour

IUPAC Name

4-ethylphenol

Molecular Weight

122.17

Molecular Formula

C8H10O

Canonical SMILES

CCC1=CC=C(C=C1)O

InChI

InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

InChI Key

HXDOZKJGKXYMEW-UHFFFAOYSA-N

Boiling Point

217.9 °C;217.9 °C

Melting Point

41-46°C

Flash Point

100°C

Purity

97%

Density

1.011

Solubility

0.03 M;SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER, & BENZENE; SOL IN CARBON DISULFIDE, & ACETONE;In water, 4.90X10+3 mg/l at 25 °C;slightly soluble in water; soluble in oils;very soluble (in ethanol)

Appearance

Off-white solid

Application

4-Ethylphenol, a versatile phenolic compound, serves multiple purposes across industries. With its unique woody-phenolic and slightly sweet aroma, it is used to determine 4-ethylguaiacol and 4-ethylphenol levels in red wine aroma through advanced techniques like headspace-solid-phase microextraction. This compound plays a significant role as a chemical reagent in synthesizing 5-HT1A receptor agonists, which are pivotal in developing treatments with antinociceptive effects. In the realm of biochemistry, 4-Ethylphenol is instrumental in preparing isopropylamides that act as potent noncovalent proteasome inhibitors. Beyond its applications in pharmaceuticals and functional materials, 4-Ethylphenol is paramount in the production of 4-vinylphenol, various antioxidants, and serves as an intermediate in creating diverse pharmaceutical agents and dyes. Its presence as a natural component in foods such as coffee, wine, and pork underscores its widespread utility and significance.

Assay

0.9999

Color/Form

COLORLESS OR WHITE NEEDLES; TEND TO YELLOW ON EXPOSURE TO LIGHT

Complexity

72.6

Covalently-Bonded Unit Count

EC Number

204-598-6

Exact Mass

122.073165g/mol

Formal Charge