4-Ethylphenol or C8H10O is a chemical compound with a sweet, spicy and herbal odor, used in fragrances, flavors, and as a fungicide in agriculture. It can also be a by-product of wine spoilage.
| IUPAC Name | 4-Ethylphenol |
| Molecular Formula | C8H10O |
| CAS Number | 104-96-7 |
| Synonyms | p-Ethylphenol, 4-Hydroxyethylbenzene, 4-EHP |
| InChI | InChI=1S/C8H10O/c1-7-3-2-6-4-8(7)5-9/h2-5,9H,6H2,1H3 |
4-ethylphenol formula
The formula of 4-ethylphenol is C8H10O. The formula gives the number and types of atoms in the molecule and is used to calculate its molar mass, molecular weight, and other properties.
C8H10O NMR
Nuclear magnetic resonance (NMR) spectroscopy allows scientists to study the structure and composition of molecules. By analyzing the C8H10O NMR spectrum of 4-ethylphenol, they can identify chemical shifts, coupling constants, and peak intensities that reveal information about the molecule’s structure and composition.
4-ethylphenol C8H10O Structure
The structure of 4-ethylphenol is characterized by its molecular formula, C8H10O, which consists of eight carbon atoms, ten hydrogen atoms, and one oxygen atom. It is a colorless liquid with a sweet, spicy and herbal odor. The molecule is symmetrical and has a hydroxyl group (-OH) attached to a carbon atom, which makes it a phenol.
4-ethylphenol molar mass
The molar mass of 4-ethylphenol is 134.17 g/mol. The molar mass is defined as the mass of a substance that contains one mole of entities, such as atoms, molecules or ions. It is calculated by adding up the atomic masses of all the elements in the molecule. In the case of 4-ethylphenol, its molecular formula (C8H10O) gives us the molar mass of 134.17 g/mol.
4-ethylphenol boiling point
The boiling point of 4-ethylphenol is 218.7°C. The boiling point of a substance is the temperature at which its vapor pressure is equal to the atmospheric pressure and the liquid changes into a vapor. The boiling point of 4-ethylphenol is relatively high due to the intermolecular forces of attraction in the molecule.
4-ethylphenol melting point
The melting point of 4-ethylphenol is 9.7°C. The melting point of a substance is the temperature at which it changes from a solid to a liquid. The melting point of 4-ethylphenol is relatively low due to its low molecular weight and lack of strong intermolecular forces.
4-ethylphenol density g/ml
The density of 4-ethylphenol is 1.02 g/mL. The density of a substance is defined as its mass per unit volume. It is calculated by dividing the mass of a sample of the substance by its volume. The density of 4-ethylphenol is relatively low due to its low molecular weight and lack of strong intermolecular forces.
4-ethylphenol molecular weight
The molecular weight of 4-ethylphenol is 134.17 g/mol. The molecular weight is the same as the molar mass and is calculated by adding up the atomic masses of all the elements in the molecule. In the case of 4-ethylphenol, its molecular formula (C8H10O) gives us the molecular weight of 134.17 g/mol.
| Appearance | Colorless Liquid |
| Specific Gravity | 1.02 g/mL |
| Color | Colorless |
| Odor | Sweet, spicy, and herbal odor |
| Molar Mass | 134.17 g/mol |
| Density | 1.02 g/mL |
| Melting Point | 9.7°C |
| Boiling Point | 218.7°C |
| Flash Point | 100°C |
| Water Solubility | Soluble |
| Solubility | Soluble in organic solvents |
| Vapor Pressure | 32 mm Hg (20°C) |
| Vapor Density | 2.4 (air = 1) |
| pKa | 9.5 |
| pH | Neutral |
4-ethylphenol Safety and Hazards
Store 4-ethylphenol away from heat and ignition sources as it is a flammable liquid. Direct contact can cause skin and eye irritation, and inhaling its vapor or mist may result in respiratory irritation. Protect yourself by wearing protective gloves, eye protection, and a respiratory mask when handling 4-ethylphenol. Handle it with care and properly dispose of it following local regulations.
| Hazard Symbols | Flammable Liquid, Irritant |
| Safety Description | S2: Keep out of reach of children; S24/25: Avoid contact with skin and eyes; S36/37/39: Wear suitable protective clothing, gloves, and eye/face protection |
| UN IDs | UN 1993, Flammable Liquid, N.O.S. (4-ethylphenol) |
| HS Code | 2909.30.90 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | Oral LD50 (rat) = 5,400 mg/kg. May cause skin and eye irritation. Inhalation of its vapor or mist may cause respiratory irritation. |
4-ethylphenol Synthesis methods
4-ethylphenol is synthesized through the reaction of phenol with ethylene oxide in the presence of an alkaline catalyst, such as sodium hydroxide or potassium hydroxide. The reaction takes place at a temperature of 60-80°C and atmospheric pressure. The molar ratio of phenol to ethylene oxide ranges from 1:1 to 1:2, depending on the desired yield and purity of 4-ethylphenol. The reaction mixture is then neutralized and distilled to obtain the desired product.
An alternative synthesis method involves the reaction of 4-chloro-o-cresol with ethylene oxide in the presence of an alkaline catalyst, such as sodium hydroxide or potassium hydroxide. The reaction takes place at a temperature of 60-80°C and atmospheric pressure. The molar ratio of 4-chloro-o-cresol to ethylene oxide ranges from 1:1 to 1:2, depending on the desired yield and purity of 4-ethylphenol. The reaction mixture is then neutralized and distilled to obtain the desired product.
It is important to note that both methods require careful control of temperature, pressure, and catalyst concentration to achieve the desired yield and purity of 4-ethylphenol. The reaction mixture should also be carefully monitored for the presence of impurities, such as by-products from the reaction or contaminants from the starting materials, to ensure the quality of the final product.
4-ethylphenol Uses
Industries widely use 4-ethylphenol as a fragrance ingredient in personal care and household products like perfumes, soaps, detergents, and candles due to its sweet, spicy, and herbal odor. The food and beverage industry uses 4-ethylphenol as a flavoring agent in candy, baked goods, and alcoholic beverages. As a precursor, it also produces other compounds, such as p-cresol, for the pharmaceutical and fine chemical industries.
Manufacturers use 4-ethylphenol in the production of resins, plasticizers, and other polymers, as well as in the synthesis of rubber and synthetic fragrances. Researchers also investigate its potential as an antifungal agent due to its inhibitory effects on fungal growth.
Regulating organizations such as the European Union, the US Food and Drug Administration, and the International Fragrance Association regulate 4-ethylphenol’s use to ensure its safe and responsible use. The safe use of 4-ethylphenol requires careful consideration of its potential health and environmental effects, proper handling, and storage.
Questions:
What are Ethylphenols?
Ethylphenols are a group of organic compounds that contain the phenol functional group and an ethyl group (-C2H5) attached to the phenol ring. They are classified as aromatic alcohols and have different physical and chemical properties depending on the location of the ethyl group on the phenol ring. Some common examples of ethylphenols include 4-ethylphenol and 2-ethylphenol. These compounds have a variety of uses in the fragrance, food, and chemical industries, as well as in the synthesis of other chemicals. However, the use of ethylphenols is regulated due to concerns about their potential health and environmental effects, and their safe use requires careful consideration of their handling and storage requirements.
What is the structure of the compound described by the spectral data below? formula c8h10o
The spectral data alone cannot definitively determine the structure of a compound, but it can provide information that can help to identify it. The formula C8H10O suggests that the compound is an aromatic alcohol, which can be further confirmed by the presence of an alcohol functional group, indicated by an OH peak in the IR spectrum.
The 1H NMR spectrum could provide information on the number and type of hydrogen atoms in the molecule, such as the presence of aromatic hydrogens and aliphatic hydrogens, as well as any functional groups. The 13C NMR spectrum could also provide information on the type of carbon atoms in the molecule and their environment.
Based on this information, it is possible to deduce the structure of the compound, but further information and analysis would be needed to confirm it definitively. Some possible structures for a compound with formula C8H10O could include phenol, cresols, or xylenols, among others.
What do you predict is the structure of the nmr spectrum shown with the chemical formula c8h10o?
You can determine the likely structure of a molecule with the chemical formula C8H10O as an aromatic alcohol. You expect to see a singlet or doublet signal for the hydroxyl proton and multiple peaks for the aromatic proton signal in the 1H NMR spectrum. In the 13C NMR spectrum, you observe signals for the carbons in the aromatic ring and the carbonyl group.
Several factors such as the molecule’s environment, solvent, and concentration, as well as impurities or isomers, can impact NMR spectra. To determine the molecule’s structure definitively, you must analyze and interpret the actual NMR spectrum, even though you can make a prediction based on the chemical formula.
How to calculate the degrees of unsaturation of c8h10o?
The degrees of unsaturation of a molecule can be calculated using the formula:
Degrees of unsaturation = (2 + number of rings) + (number of double bonds / 2)
The molecule with formula C8H10O has one ring because it is an aromatic ring. The molecule has no double bonds as it is an alcohol and doesn’t contain any double bonds.
Therefore, the degrees of unsaturation for C8H10O would be calculated as follows:
Degrees of unsaturation = (2 + 1) + (0 / 2) = 3
This result indicates that the molecule C8H10O has three degrees of unsaturation and is therefore likely to be an aromatic alcohol. The calculation of degrees of unsaturation provides a quick and convenient way to estimate the molecular structure of a compound and to identify whether it contains any unsaturated functional groups or rings. However, it should be noted that this method has some limitations and is not suitable for all compounds.
What is c8h10o?
C8H10O is a chemical formula for a molecule that contains 8 carbon atoms, 10 hydrogen atoms, and 1 oxygen atom. The molecule could be any of a number of different chemical compounds, including aromatic alcohols such as phenol, cresols, or xylenols, among others.
Techniques such as infrared spectroscopy, nuclear magnetic resonance spectroscopy, or mass spectrometry determine the actual identity of the molecule based on its molecular structure and properties.