PHENETOLE

Phenetole offers a simple yet effective aromatic ether framework for producing a wide range of substituted organic compounds and specialty intermediates.
Phenetole is particularly useful in synthesis routes where controlled aromatic reactivity, solvent compatibility, and structural modification are important.
Phenetole's combination of chemical versatility and practical handling makes it valuable in fine chemicals, fragrance chemistry, pharmaceutical development, and laboratory research.

CAS Number: 103-73-1
EC Number: 203-139-7
Molecular Formula: C8H10O
Molecular Weight: 122.16 g/mol

Synonyms: PHENETOLE, Ethoxybenzene, 103-73-1, Ethyl phenyl ether, Benzene, ethoxy-, Phenetol, Phenyl ethyl ether, Benzene, ethoxy, Phenoxyethane, Ether, ethyl phenyl, RB8LU2C57F, NSC-406706, DTXSID7059278, CHEBI:67129, RefChem:929009, DTXCID7032767, 203-139-7, MFCD00009090, Ether, ethyl phenyl-, A Phenoxyethane, 1-Ethoxybenzene, Ethoxybenzene; Ethyl phenyl ether; NSC 406706; Phenetol; Phenoxyethane; Phenyl ethyl ether, HSDB 112, EINECS 203-139-7, NSC 406706, aphenoxyethane, ethoxy-benzene, Phenylcthylether, AI3-05616, Ethoxybenzene, 99%, PHENETOLE [MI], PHENETOLE [HSDB], SCHEMBL932, SCHEMBL933, EC 203-139-7, WLN: 2OR, SCHEMBL18492, SCHEMBL21151, SCHEMBL49802, SCHEMBL128508, SCHEMBL526347, CHEMBL499585, orb1219165, orb1306896, SCHEMBL1177660, SCHEMBL1374744, SCHEMBL3185030, SCHEMBL5584069, SCHEMBL5584447, SCHEMBL6719289, SCHEMBL8728092, SCHEMBL8729232, SCHEMBL19020086, SCHEMBL22734442, NSC406706, AKOS000120160, FP16118, PB47848, LS-13425, CS-0017190, E0043, NS00002877, EN300-16115, D78866, T19753, F051203, Q419340, F1908-0060, InChI=1/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H, 1-Phenyl ethyl alcohol, 103-73-1, 2-Methylmethoxybenzene, 203-139-7, 3-Methylmethoxybenzene, 636270, Benzene, ethoxy-, Ethoxybenzene, Éthoxybenzène, Ethoxybenzol, Ethyl phenyl ether, Phenetole, phenyl ethyl alcohol, Phenylcthylether, 154848-38-1, 203-139-7MFCD00009090, 29051-95-4, 2OR, 98%, A Phenoxyethane, Benzene, ethoxy, Ether, ethyl phenyl, Ether, ethyl phenyl-, Ethoxybenzene-[d5], NSC406706, NSC-406706, NSC 406706, Phenetol, phenoxyethane, Phenyl ethyl ether, 苯乙醚

Phenetole is an aromatic ether in which the ether oxygen is bonded to an ethyl and a phenyl group.
Phenetole is an aromatic ether composed of a phenyl group connected to an ethoxy group and is also commonly known as ethoxybenzene or ethyl phenyl ether.

Phenetole is used as an organic synthesis intermediate and as a building block in the preparation of pharmaceuticals, fragrances, agrochemicals, and specialty chemicals.
Phenetole's aromatic ether structure also makes it useful in research involving substituted aromatic compounds and fine chemical synthesis.

Phenetole is an organic compound that belongs to a class of compounds called ethers.
Phenetole has the same properties as some other ethers, such as volatility, explosive vapors, and the ability to form peroxides.
Phenetole will dissolve in less polar solvents such as ethanol or diethyl ether, but not in polar solvents such as water.

Phenetole is a colourless to pale yellow liquid with a slight sweet and fragrant smell.
Phenetole is an aromatic ether made by the ethylation of Phenol.

Phenetole is moderately water-soluble but extremely miscible in organic solvents.
Phenetole's stability, pleasant scent and chemical flexibility are the reasons it is a desirable chemical in the fragrance, flavour, and chemical synthesis industry.

Phenetole, also known as phenethel or ethoxybenzene, is an organic compound characterized by its ether functional group, specifically an ethoxy group attached to a phenyl ring.
Phenetole's molecular formula is C8H10O, and it features a colorless to pale yellow liquid appearance with a sweet, pleasant odor.

Phenetole is moderately soluble in water but more soluble in organic solvents such as ethanol and ether.
Phenetole has a relatively low boiling point, which makes it volatile.

Phenetole is primarily used as a solvent in various chemical reactions and as an intermediate in the synthesis of other organic compounds.
Additionally, phenetole exhibits properties typical of aromatic ethers, including stability under normal conditions and reactivity towards electrophilic substitution.

Safety considerations include its flammability and potential health effects upon inhalation or skin contact, necessitating appropriate handling measures in laboratory and industrial settings.
Overall, phenetole is a versatile compound with applications in both chemical synthesis and as a solvent.

Phenetole is used as an intermediate in organic synthesis for the preparation of perfumes, pharmaceuticals, and other aromatic compounds.
Phenetole is also employed as a solvent and in research laboratories for studying ether reactions and aromatic substitution processes.

Phenetole is a colorless liquid which is prepared by etherification of phenol with ethyl chloride or diethyl sulfate.
Phenetole is an intermediate in numerous organic syntheses.

Phenetole is an aromatic ether with the molecular formula C8H10O and a molecular weight of 122.16 g/mol.
Phenetole is a clear, colorless to slightly yellow liquid with a characteristic aromatic odor.

Uses of Phenetole:
Phenetole is used as an intermediate, in perfumes, and as a research chemical.
Phenetole was used as an analyte in assaying the performance of the porous graphitic carbon (PGC) particles.

Phenetole is an important chemical raw material used in the synthesis of fragrances, dyes, pharmaceutical intermediates, solvents, and organic synthesis.
Phenetole is commonly used in the production of drugs and organic compounds.

For example, ortho-aminophenetole and nitrophenetole are both synthesized using phenetole as a starting material.
In recent years, there has been a significant increase in the demand for phenetole in the market.

Applications of Phenetole:

Perfumery & Fragrance Industry:
Phenol is used as a Fragrance Ingredient, providing a sweet, aromatic note to perfumes, colognes, and personal care products.
Phenetole enhances floral, fruity, and oriental fragrance blends and contributes to the overall aroma stability and longevity of formulations.

Cosmetics & Personal Care:
Phenetole is incorporated into creams, lotions, shampoos, conditioners, and body sprays, imparting an ethereal sweet scent.
Phenetole's compatibility with oils as well as alcohols allows for a smooth formulation of products for personal and cosmetic care.

Flavour Industry:
Phenol can be used as an ingredient for flavouring or as a substitute in various food and beverage applications.
Phenetole imparts sweet, mild and aromatic flavours to drinks, confectionery and baked goods.

Chemical Intermediate:
Phenol is a fundamental component in organic synthesis, making other ethers, esters, as well as speciality aromatic compounds.
Chemical stability permits various modifications to chemical reactions.
Thanks to its pleasant sweetness, Phenetole has been utilized in essential oils such as room sprays as well as diffusers, to provide an energizing and relaxing atmosphere.

Home & Lifestyle Products:
Uses in scented candles, air fresheners, and cleaners offer an ethereal sweetness and pleasant scent to enhance the ambience indoors.

Research & Laboratory Applications:
Phenetole is utilized in labs for reagents, solvents, or a reference compound for flavour and fragrance R&D.
Reactivity and stability make it an ideal choice for a variety of Organic Synthesis tests.

Formulation Advantages:
Phenol can be found within oils, alcohols, and organic solvents.
This makes it an easy ingredient to add to cosmetic, fragrance and flavouring formulations.
The stable scent profile of Phenol ensures lasting sensory benefits in the items.

Preparation of Phenetole:
There are several methods for synthesizing phenetole, including the reaction of bromoethane or iodoethane with sodium phenoxide, the reaction of diethyl carbonate, and the reaction of ethanol.
The method of reacting bromoethane or iodoethane with sodium phenoxide generates a large amount of salt, making post-treatment difficult and causing environmental pollution.

This method has been eliminated.
The methods with industrial application prospects are the reaction of diethyl carbonate and the reaction of ethanol.
Currently, the industrial production mainly uses the diethyl carbonate method, while the ethanol method is still in the laboratory research stage.

This invention discloses a process for purifying phenetole.
Phenetole uses a mixture of N-methylpyrrolidone, diglycol, and cyclobutyl sulfone as an extractant with a mass ratio of (0.1-1):1 to extract the azeotrope of phenetole and water in an extraction column.

The crude phenetole obtained from the top of the extraction column is further purified in a rectification column to obtain pure phenetole.
The water and extractant from the bottom of the extraction column are dehydrated in a dehydration column.

The dehydrated water from the top of the dehydration column can be directly discharged, while the extractant from the bottom of the dehydration column can be recycled.
This method separates phenetole from water, reduces the height and reflux ratio of the column, improves separation efficiency, significantly reduces energy consumption, and lowers separation costs.
This invention has the advantages of high separation efficiency, high purity of phenetole, and recyclable extractant.

Phenetole can be prepared by the reaction of phenol with diethyl sulfate:
PhOH + NaOH → PhO−Na+ + H2O
PhO−Na+ + Et2SO4 → Ph-O-Et + EtSO−4Na+

This reaction follows SN2 path.

Stability and Reactivity of Phenetole:

Chemical stability:
Phenetole is generally stable under normal ambient temperatures and recommended storage conditions.

Reactivity:
Phenetole is a flammable aromatic ether, and its vapors may form ignitable mixtures with air when exposed to sufficient heat or ignition sources.

Conditions to avoid:
Avoid heat, sparks, open flames, hot surfaces, static discharge, and other sources of ignition.

Incompatible materials:
Avoid strong oxidizing agents and other highly reactive substances.

Hazardous decomposition products:
Thermal decomposition or combustion may generate carbon monoxide, carbon dioxide, and irritating organic fumes.

Handling and Storage of Phenetole:

Safe handling:
Handle in a well-ventilated area and avoid unnecessary contact with the skin and eyes.
Keep away from heat, sparks, flames, and other ignition sources, and use non-sparking equipment where appropriate.

Storage conditions:
Keep the container tightly closed in a cool, dry, and well-ventilated place.
TCI recommends storage in a cool and dark location, preferably below 15°C.

First Aid Measures of Phenetole:

Inhalation:
Move the affected person to fresh air and keep them comfortable for breathing.
Obtain medical attention if symptoms persist or breathing difficulties occur.

Skin contact:
Remove contaminated clothing and rinse the affected skin thoroughly with water.
Wash contaminated clothing before reuse.

Eye contact:
Rinse cautiously with plenty of water for several minutes.
Remove contact lenses if present and easy to do, continue rinsing, and seek medical attention if irritation persists.

Ingestion:
Rinse the mouth with water.
Seek medical advice if discomfort or other symptoms develop.

Firefighting Measures of Phenetole:

Suitable extinguishing media:
Use dry chemical, dry sand, carbon dioxide, or alcohol-resistant foam according to the fire conditions.

Specific fire hazards:
Phenetole is a flammable liquid and vapor with a reported flash point of approximately 57°C.
Vapors may travel to an ignition source and ignite under suitable conditions.

Protective equipment:
Firefighters should wear appropriate protective clothing and self-contained breathing apparatus when necessary.

Accidental Release Measures of Phenetole:

Personal precautions:
Remove ignition sources, provide adequate ventilation, and prevent unnecessary access to the spill area.
Wear appropriate personal protective equipment during cleanup.

Cleanup methods:
Absorb spilled liquid with sand, earth, or another suitable non-combustible absorbent.
Collect the material with non-sparking tools and transfer it into an appropriate closed container for disposal.

Environmental precautions:
Prevent uncontrolled release into drains, waterways, and soil.

Exposure Controls/Personal Protective of Phenetole:

Engineering controls:
Provide adequate general ventilation or local exhaust ventilation to minimize vapor accumulation.

Eye protection:
Wear appropriate safety glasses or chemical protective goggles.

Hand protection:
Wear suitable chemical-resistant protective gloves.

Skin protection:
Wear appropriate protective clothing to minimize direct contact.

Respiratory protection:
Use suitable respiratory protection when ventilation is insufficient or significant vapor exposure may occur.

Hygiene measures:
Wash hands thoroughly after handling.
Do not eat, drink, or smoke in areas where phenetole is handled or stored.

Identifiers of Phenetole:
Product Number: E0043
Purity / Analysis Method: >98.0%(GC)
Molecular Formula / Molecular Weight: C8H10O = 122.17
Physical State (20 deg.C): Liquid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN: 103-73-1
Reaxys Registry Number: 636270
PubChem Substance ID: 87569356
SDBS (AIST Spectral DB): 2838
Merck Index (14): 7229
MDL Number: MFCD00009090

CAS Number: 103-73-1
Abbreviations: PhOEt
ChEMBL: ChEMBL499585
ChemSpider: 7391
ECHA InfoCard: 100.002.854
PubChem CID: 7674
UNII: RB8LU2C57F
CompTox Dashboard (EPA): DTXSID7059278
InChI: InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N
InChI: InChI=1/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Key: DLRJIFUOBPOJNS-UHFFFAOYAS
SMILES: O(c1ccccc1)CC

CAS No.: 103-73-1
Chemical Name: Phenetole
CBNumber: CB5120611
Molecular Formula: C8H10O
Formula Weight: 122.16

Linear Formula: C6H5OC2H5
CAS Number: 103-73-1
Molecular Weight: 122.16
UNSPSC Code: 12352100
NACRES: NA.22
PubChem Substance ID: 24854525
EC Number: 203-139-7
Beilstein/REAXYS Number: 636270
MDL Number: MFCD00009090
Assay: 99%
Form: liquid

CAS: 103-73-1
IUPAC Name: ethoxybenzene
Molecular Formula: C8H10O
InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N
SMILES: CCOC1=CC=CC=C1
Molecular Weight (g/mol): 122.17
Synonym: phenyl ethyl alcohol

Properties of Phenetole:
Quality Segment: 200
Assay: 99%
Form: liquid
Refractive Index: n20/D 1.507 (lit.)
Boiling Point: 169-170 °C (lit.)
Melting Point: −30 °C (lit.)
Solubility: alcohol: freely soluble(lit.), diethyl ether: freely soluble(lit.), water: insoluble(lit.)
Density: 0.966 g/mL at 25 °C (lit.)
Functional Group: phenoxy
SMILES String: CCOc1ccccc1
InChI: 1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N

Melting Point: −30 °C(lit.)
Boiling Point: 169-170 °C(lit.)
Density: 0.966 g/mL at 25 °C(lit.)
Vapor Pressure: 2.266hPa at 25℃
Refractive Index: n20/D 1.507(lit.)
Flash Point: 135 °F
Storage Temperature: Sealed in dry,Room Temperature
Solubility: alcohol: freely soluble(lit.) Insoluble in water, soluble in alcohol and oils.
Form: Liquid
pKa: 0[at 20 ℃]
Color: Clear colorless to very slightly yellow
Relative Polarity: 2.9
Water Solubility: PRACTICALLY INSOLUBLE
Thermal Conductivity: 0.14 W/(m·K) at 25 ℃
Specific Heat Capacity: Cp(liquid): 1.87 J/(g·K), at 25℃
Sensitive: Light Sensitive
Merck: 14,7229
BRN: 636270
Henry's Law Constant: 1.7×10-2 mol/(m3Pa) at 25℃, Li and Carr (1993)
Dielectric Constant: 4.2(20℃)
InChIKey: DLRJIFUOBPOJNS-UHFFFAOYSA-N
LogP: 2.041 at 23℃
CAS DataBase Reference: 103-73-1(CAS DataBase Reference)
NIST Chemistry Reference: Benzene, ethoxy-(103-73-1)
EPA Substance Registry System: Benzene, ethoxy- (103-73-1)

Chemical Formula: C8H10O
Molar Mass: 122.167 g·mol−1
Appearance: Colorless to yellowish oily liquid
Density: 0.967 g/mL
Melting Point: −30 °C (−22 °F; 243 K)
Boiling Point: 169 to 170 °C (336 to 338 °F; 442 to 443 K)
Solubility in Water: 0.57 g/L

Molecular Weight: 122.16 g/mol
XLogP3: 2.5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 2
Exact Mass: 122.073164938 Da
Monoisotopic Mass: 122.073164938 Da
Topological Polar Surface Area: 9.2 Ų
Heavy Atom Count: 9
Complexity: 65
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Melting Point: -30 °C
Boiling Point: 173 °C
Flash Point: 57 °C
Specific Gravity (20/20): 0.97
Refractive Index: 1.51

Specifications of Phenetole:
Appearance: Colorless to Almost colorless clear liquid
Purity (GC): min. 98.0 %
Appearance (Color): Clear colorless to pale yellow or pale blue
Form: Liquid
Assay (GC): ≥98.0%
Refractive Index: 1.5055-1.5095 @ 20°C

Names of Phenetole:

Preferred IUPAC name:
Ethoxybenzene

Other names:
Phenetole
Phenoxyethane