4-Ethylphenol

4-Ethylphenol Chemical Properties
Melting point 40-42 °C(lit.)
Boiling point 218-219 °C(lit.)
density 1,011 g/cm3
vapor density 4.2 (vs air)
vapor pressure 0.13 mm Hg ( 20 °C)
refractive index 1.5330
FEMA 3156 | P-ETHYLPHENOL
Fp 213 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility 4.9g/l
form Crystalline Mass or Crystals
pkapK1:10.0 (25°C)
Specific Gravity1.0123 (20℃)
color White to brownish
Odorat 1.00 % in dipropylene glycol. phenolic castoreum smoke guaiacol
Odor Typesmoky
Water Solubility 4.9 g/L (25 ºC)
JECFA Number694
BRN 1363317
Stability:Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
InChIKeyHXDOZKJGKXYMEW-UHFFFAOYSA-N
LogP2.1 at 20℃ and pH7
Surface tension54mN/m at 998g/L and 22℃
CAS DataBase Reference123-07-9(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 4-ethyl-(123-07-9)
EPA Substance Registry Systemp-Ethylphenol (123-07-9)
Safety Information
Hazard Codes Xi,C
Risk Statements 36/37/38-R36/37/38-34
Safety Statements 26-36-S36-S26-45-36/37/39
RIDADR UN 2430 8/PG 3
WGK Germany 3
RTECS SL4040000
TSCA Yes
HazardClass 8
PackingGroup III
HS Code 29071900
Hazardous Substances Data123-07-9(Hazardous Substances Data)
MSDS Information
ProviderLanguage
4-Ethylphenol English
SigmaAldrich English
ACROS English
ALFA English
4-Ethylphenol Usage And Synthesis
Description4-Ethylphenol, often abbreviated to 4-EP, is a phenolic compound with the formula C8H10O. It is colorless or white needles with a powerful woody-phenolic and yet somewhat sweet odor and  tends to be yellow on exposure to light. It is slightly solouble in water, solouble in alcohol, ether and benzene and carbon disulfide. It is found in arabica coffee and can be produced in wine and beer by the spoilage yeast Brettanomyces. It is the starting material for the production of 4-vinylphenol and of various antioxidants and can also be used as an intermediate for pharmaceuticals and dyes.
References1. https://en.wikipedia.org/wiki/4-Ethylphenol
2. http://www.hmdb.ca/metabolites/HMDB29306
3. https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/f?./temp/~x8ypqu:1:cpp
4. https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/f?./temp/~x8ypqu:1:manf


Chemical Propertiesoff-white solid
Chemical Propertiesp-Ethylphenol has a powerful woody-phenolic, medicinal, yet somewhat sweet odor.
OccurrenceReported found in yellow passion fruit, smoked fish, lean fish, beer, cognac, rum, whiskey, cider, sherry, grape wines and coffee
UsesIntermediates of Liquid Crystals
Uses4-Ethylphenol is suitable for use in the determination of 4-ethylguaiacol and 4-ethylphenol in the aroma of red wines using headspace-solid-phase microextraction method. It is a chemical reagent used in the synthesis of 5-HT1A receptor agonists endowed with antinociceptive activity in vivo. It is also used in the preparation of isopropylamides as potent and noncovalent proteosome inhibitors.
PreparationBy catalytic reaction between phenol and ethylene or ethanol; by heating 8-chloro-3-ethylbenzene with NaOH in the presence of copper powder.
DefinitionChEBI: 4-ethylphenol is a member of the class of phenols carrying an ethyl substituent at position 4. It has a role as a fungal xenobiotic metabolite.
Aroma threshold valuesDetection: 42 to 130 ppb
Synthesis Reference(s)The Journal of Organic Chemistry, 14, p. 1089, 1949 DOI: 10.1021/jo01158a018
General Description4-Ethylphenol is a volatile phenol. It has been synthesized from p-coumaric acid by employing a synthetic medium containing Dekkera bruxellensis ISA 1791. It has been identified as an aroma compound in red wine.
HazardToxic material.
Safety ProfilePoison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Purification MethodsNon-acidic impurities are removed by passing steam through a boiling solution containing 1 mole of the phenol and 1.75 moles of NaOH (as an aqueous 10% solution). The residue is cooled and acidified with 30% (v/v) H2SO4, and the free phenol is extracted into diethyl ether. The extract is washed with water, dried with CaSO4 and the ether is evaporated. The phenol is distilled at 100mm pressure through a Stedman gauze-packed column (p 11). It is further purified by fractional crystallisation by partial freezing, and by zone refining, under N2 [Biddiscombe et al. J Chem Soc 5764 1963]. Alternatively purify it via the benzoate, as for phenol. The 4-nitrophenylbenzoate has m 80o (from EtOH). [Beilstein 6 H 470, 6 III 1663, 5 IV 3020.]
5-(2-Ethylphenyl)-2-ethylphenol Polyethylene polyamines, reaction product with 1-chloro-3-[1-chloromethyl-2-(2-ethylamyloxy) ethoxy]-2-propanol 4-BROMO-2-ETHYLPHENOL 2-Amino-4, 6-dichloro-5-ethylphenol hydrochloride 2-[2-(3-Methoxyphenyl)ethyl]phenol anhydride and tall oil 6-(2-Ethylphenyl)-2-ethylphenol tris[1-(methylphenyl)ethyl]phenol METHYL O-METHYLPODOCARPATE PHENOLDISULFONIC ACID 2-(4-Ethylphenyl)-3-ethylphenol 3,4-DIMETHYL-6-ETHYLPHENOL Hexafluorobisphenol A 5-(4-Ethylphenyl)-2-ethylphenol 4-(1,1-Dimethylethyl)phenol, formaldehyde, 4,4'-(1-methylethylidene)bis[phenol], 1,3-benzenediol polymer 4-Methoxytriphenylchloromethane 5-(3-Ethylphenyl)-2-ethylphenol Phenol, 4-(1,1-dimethylethyl)-, polymer with (chloromethyl)oxirane and 4,4-(1-methylethylidene)bisphenol

Email:[email protected] [email protected]
Copyright © 2024 Mywellwork.com All rights reserved.