4-Ethylphenol

Names

[ CAS No. ]:
123-07-9

[ Name ]:
4-Ethylphenol

[Synonym ]:
4-ethyl-phenol
p-Et-C6H4-OH
4-06-00-03020 (Beilstein Handbook Reference)
Ethyl 4-ethyl-2,4-pentadienoate
2-Hexenoic acid,4-methylene-,ethyl ester
Phenol, p-ethyl-
1-hydroxy-4-ethylbenzene
para-ethyl phenol
MFCD00002393
EINECS 204-598-6
Phenol, 4-ethyl-
4-Ethylphenol
benzene, 1-ethyl,4-hydroxy-
4-Ethyl-pentadien-(2,4)-carbonsaeure-(1)-ethylester
4-ethyl-1-hydroxybenzene
4-Hydroxyethylbenzene
p-ethylphenol

Biological Activity

[Description]:

4-Ethylphenol is a volatile phenolic compound associated with off-odour in wine.

[Related Catalog]:

Research Areas >> Others

Natural Products >> Phenols

[Target]

Human Endogenous Metabolite

[References]

[1]. Nieto-Rojo R, et al. Sorption of 4-ethylguaiacol and 4-ethylphenol on yeast cell walls, using a synthetic wine. Food Chem. 2014;152:399-406.

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
219.0±0.0 °C at 760 mmHg

[ Melting Point ]:
40-42 °C(lit.)

[ Molecular Formula ]:
C₈H₁₀O

[ Molecular Weight ]:
122.164

[ Flash Point ]:
100.6±0.0 °C

[ Exact Mass ]:
122.073166

[ PSA ]:
20.23000

[ LogP ]:
2.47

[ Vapour density ]:
4.2 (vs air)

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.537

[ Stability ]:
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.

[ Water Solubility ]:
4.9 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL4040000

CHEMICAL NAME :: Phenol, p-ethyl-

CAS REGISTRY NUMBER :: 123-07-9

BEILSTEIN REFERENCE NO. :: 1363317

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H10-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 138 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
UN 2430 8/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SL4040000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29071900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

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Simple and sensitive GC/MS-method for the quantification of urinary phenol, o- and m-cresol and ethylphenols as biomarkers of exposure to industrial solvents.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 995-996 , 93-100, (2015)

We have developed and validated a simple and sensitive method for the determination of urinary phenol as well as the urinary metabolites of toluene and ethylbenzene in one analytical run. After enzyma...