Learning about chemical compounds is often like entering a labyrinth of complex names and structures, but each molecule tells a great story. 2-Methylcyclohexanol with various interesting properties stands in the center of attention, alongside interesting types of isomers and safety considerations for its use. For curious chemistry students and laypeople alike, Plus this article takes a thorough plunge into the world of 2-methylcyclohexanol. We will go through its structural details, look into the green isomers, and then take a serious turn toward safety considerations-hazards and precautions of handling it. By the end of this lecture, you could say this compound is your window into the chaos of organic chemistry rather than just a bunch of atoms. So stay with us while we unravel some secrets of 2-methylcyclohexanol!
Description of 2-Methylcyclohexanol
2-Methylcyclohexanol is an organic molecule having a molecular formula of C7H14O. It has a cyclohexane ring with one methyl and one hydroxyl group attached. This compound exists in different isomeric forms, differing from each other in the location and conformation of these groups on the ring. 2-Methylcyclohexanol is typically used as a solvent and an intermediate in the synthesis of other compounds. Taking precautions while handling it is essential because the chemical may pose health risks-working with gloves and proper ventilation are just a few safeguards that need to be followed.
Chemical Structure and Composition
2-Methylcyclohexanol contains the cyclohexane ring, a six-membered ring with all carbon atoms connected by single bonds. It has one methyl group (-CH3) and an OH group (-OH), both as substituents. The location and geometrical orientation of these substituents will determine which of the isomers of 2-Methylcyclohexanol exists. The hydroxyl group can be oriented axially or equatorially to the ring; these orientations greatly affect the stereochemistry and properties of the compounds.
The molecular weight of this compound is about 114.19 g/mol. Density is approximately 0.93 g/cm³, and thus the boiling point ranges between 165°C and 170°C, depending on the particular isomer. With moderate solubility in water, the compound remains fully miscible in organic solvents like ethanol, acetone, and ether.
Commercially, 2-Methylcyclohexanol is produced usually via the catalytic hydrogenation of o-cresol or such related precursors. Being equipped with these functional groups, the molecule renders great solvent efficiency and intermediate into the synthesis of fragrances, pharmaceuticals, and other organic compounds.
Synonyms and Identifiers
2-Methylcyclohexanol is an alternate name entered along with other identifiers that provide recognition in different industries and chemical-related databases. Several widely accepted synonyms include 2-Methyl-1-cyclohexanol and o-Methylcyclohexanol. Also, its Chemical Abstracts Service (CAS) Registry Number is 583-59-5, being the unique number used in the unambiguous manner in chemical catalogs and safety data sheets.
With the molecular formula C7H14O, 2-Methylcyclohexanol has a molar mass of about 114.19 g/mol. It is classified under cycloalkanol due to the cyclohexane ring structure having an alcohol (-OH) functional group. This compound is identified in chemical databases by the following molecular identifiers:
IUPAC Name: 2-Methylcyclohexan-1-ol
PubChem CID: 68434
UNII (FDA Unique Ingredient Identifier): 2YLQ3CN42M
SMILES Notation: CC1CCCCC1O
InChI (International Chemical Identifier): 1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
For researchers, producers, and safety workers alike will require these identifiers for tracking property, usage, and regulatory data.
Isomers: cis and trans Forms
Both cis-2-methylcyclohexanol and trans-2-methylcyclohexanol are the isomers of 2-methylcyclohexanol.
| Key Point | Cis Form | Trans Form |
|---|---|---|
| Structure | Adjacent groups | Opposite groups |
| Stability | Less stable | More stable |
| Boiling Pt. | Higher | Lower |
| Solubility | Slightly higher | Slightly lower |
| Usage | Limited | Broader |
These isomers differ in their spatial arrangement, influencing their physical and chemical properties as shown above.
Physical Properties of 2-Methylcyclohexanol
We recognize that these isomers of 2-methylcyclohexanol differ in spatial arrangement, that is, between the cis and trans groupings. The cis isomer is less stable, but has a higher boiling point and slightly greater solubility; whereas the trans isomer is more stable, with lower boiling points and slightly decreased solubility. This difference in structure accounts for the numerous uses of the two isomers.
Density Differentiating
Density is one physical property influenced by the structure and intermolecular interaction of isomers, and that includes 2-methylcyclohexanol isomers. Generally speaking, density refers to mass per unit volume, and in the case of cis and trans isomers, the difference arises because of packing efficiency and intermolecular forces.
For 2-methylcyclohexanol, the cis variant usually has a slightly higher density than the trans. Due to the adjacent positioning of substituent groups in the cis form, molecules pack very closely with a slightly higher mass per unit volume. On the other hand, the opposite positioning of these groups in the trans configuration creates a looser packing, thereby reducing the density.
Some recent data shows that the density of the 2-methylcyclohexanol isomers at 25°C is:
The cis-2-methylcyclohexanol: Approximately 0.967 g/cm³
The trans-2-methylcyclohexanol: Approximately 0.960 g/cm³
These subtle variations will be significant in specialized uses such as in chemical process design and formulation where tight control of material properties like density is important; differentiating density between isomers is thus very useful in pharmaceutical industries where purity and consistency of compounds create impacts on the efficacy and safety of a product.
Comparison with Related Compounds
The related compounds include cyclohexanol, 2-methylcyclohexanol, 3-methylcyclohexanol, and 4-methylcyclohexanol.
| Compound | Density | Boiling Pt | Structure | Use |
|---|---|---|---|---|
| Cyclohexanol | 0.962 g/cm³ | 161°C | Saturated | Solvent |
| 2-Methylcyclohexanol | 0.945 g/cm³ | 166°C | Isomer | Intermediate |
| 3-Methylcyclohexanol | 0.960 g/cm³ | 168°C | Isomer | Synthesis |
| 4-Methylcyclohexanol | 0.947 g/cm³ | 165°C | Isomer | Additive |
This table provides an at-a-glance comparison of key chemical properties and applications for each compound related to cyclohexanol.
In Effect at Temperatures on Density
As temperature varies, so does the density, altering the molecular activity of cyclohexanol and its derivatives along with the thermal expansion characteristics of the liquid. It was recently suggested that, with a rise in temperature, the density of such compounds generally goes down due to the volumetric expansion of the liquid. This is a parameter that can be experimentally determined, where such exact data thus become important with industrial procedures requiring precise measurements.
For example, the density of cyclohexanol is about 0.962 g/cm³ at 25°C. With a rise in temperature by every 10°C, the density generally tends to decrease within the range of 0.0008 to 0.001 g/cm³, depending upon the structural conformation and external conditions. This little variation may impact its utility as a solvent or intermediate in chemical reactions since density influences mixing and reaction kinetics.
Pharmaceutical applications are areas where accurate data and temperature-density correlation models become invaluable because control of reaction conditions is critical to yield and product quality.
Safety Information and Handling
Always refer to an SDS for thorough instructions on how to handle a chemical substance. Consider using the appropriate PPE, depending on the task; common protection includes gloves, safety glasses, and lab coats. Work in an area with good ventilation, and keep the material in a cool, dry area away from any incompatible materials. Clean up spills immediately using the specification absorbent material and dispose of them in accordance with local laws. Hence, keep to accepted laboratory procedures.
MSDS Documentation Overview
Material Safety Data Sheets (MSDSs), also termed Safety Data Sheets (SDSs), provide pertinent, necessary information related to chemical substances being handled in an environment. The sheets are universally standardized, under the GHS: Globally Harmonized System of Classification and Labelling of Chemicals, so that all methods are common within industries. The MSDS gets split into 16 sections, each providing details on hazards identifications, composition, first-aid measures, firefighting measures, accidental release measures, handling, and storage.
For example, in Section 2, the hazards that a substance can pose will be identified, along with the associated pictograms and signal words, such as “Danger” or “Warning”. Section 7 would be referenced for any statements regarding safe handling and appropriate storage to minimize potential risks when using the substance, while Section 8 will highlight exposure controls and required personal protective equipment (PPE). Further information is given by Section 5 concerning firefighting measures, which includes suitable extinguishing measures and any special hazards arising from chemical reactions if a fire should occur.
Using acetone, which is present in all laboratories as a practical example: the MSDS for acetone mentions that it is highly flammable under Section 9 (Physical and Chemical Properties), with a flash point of -20°C (-4°F). Furthermore, Section 8 recommends using nitrile gloves, protective goggles, and working within well-ventilated areas to minimize exposure.
As MSDS documentation determines the safety of these chemicals, one can get to see MSDS info in up-to-date databases online. Some renowned databases include ChemSpider and Sigma-Aldrich, plus government-regulated ones such as the OSH administration (Occupational Safety and Health Administration). These would do best to be kept at hand in your work area and must be reviewed at length every time the substance is retrieved for use.
Safety Precautions for Handling
When handling hazardous substances, strict safety measures should be observed to mitigate any risks. Under OSHA guidelines and current best practices:
Personal Protective Equipment: Whenever in contact with chemicals, always wear appropriate types of PPE such as gloves, safety goggles, and lab coats. Some studies indicate that correct use of PPE can minimize a worker’s risk of injury by 60%.
Ventilation: Work areas must be well ameliorated with ventilation controls; fume hoods or localized exhaust ventilation systems reduce airborne levels of chemicals and thus reduce the potential inhalation exposure.
Chemical Storage: Chemicals must be safely stored away from sunlight, heat, and chemical incompatibility. Flammable chemicals, for instance, should be stored in appropriate flame-proof cabinets. Improper chemical storage has been attributed to about 25% of workplace accidents from chemical incidences.
Spill Management: Keep your spill kit ready anytime. Recent studies from lab safety culture suggest sites with spill-control measures react to accidents 40% faster.
Training and Awareness: Train personnel regularly on various safety issues OSHA has reported enforcement of hazard communication training on employees has smoothened to a 30% decline in incidents in the workplace.
Labeling: Ensure that appropriate labels begin to adorn all chemical containers with GHS standards of classification and labeling of chemicals. This standard ensures better hazard communication and brings about practices for international safety.
Integrating these precautions not only builds a safe working environment but also ensures the organization’s compliance with some legal and professional safety standards.
Applications of 2-Methylcyclohexanol
2-Methylcyclohexanol has an increased value as an intermediate in producing solvents, plasticizers, and other chemical compounds. Its great versatility and ability to undergo a variety of chemical reactions further offers it industrial uses, especially for organic synthesis.
Industrial Uses and Relevance
2-Methylcyclohexanol acts as an important precursor involved in the production of a variety of industrial and chemical products. Other known industrial uses of 2-methylcyclohexanol involve its use in solvents, for solving all sorts of materials to compatibility with whatever materials are being used. The other common uses account for plasticizers, which are employed in enhancing plastic flexibility and durability.
Recent market analysis and forecastingOf late, market analyses have focused on ascending growth in demand for 2-Methylcyclohexanol within the chemical industry. According to a report published in 2023, intermediates such as 2-Methylcyclohexanol will present a CAGR in excess of 5% between 2023 and 2030, chiefly due to the growing importance of organic synthesis and the increased demand for sustainable and high-performance materials.
Furthermore, organic synthesis methods have recently been enhanced and thus increased the extent to which 2-Methylcyclohexanol can be used to prepare specialty chemicals and pharmaceuticals. Being a reactive intermediate, the compound offers new solutions to researchers and manufacturers for developing diverse designs.
The 2-Methylcyclohexanol dependency through various industries drives the necessity of sustainable methods of production and responsible application in fulfilling forthcoming industrial demands.
Laboratory Applications and Significance
2-Methylcyclohexanol plays an important laboratory role due to its multifaceted chemical behavior. It is, for the most part, an intermediate of primary importance for the synthesis of complicated organic compounds, for the purpose of developing drugs, agrochemicals, and fine chemicals. Being reactive and adaptable makes it crucial for research directed at discovering new chemical reactions and pathways.
A rising attention on sustainability is reflected in recent data on its applications. For example, one can enhance the yields and efficiency in the catalytic processes involving the reagent 2-Methylcyclohexanol. According to market research, the global demand for cyclohexanol derivatives, including 2-Methylcyclohexanol, is anticipated to grow at an annual rate of approximately 4.5% from 2023 to 2030, stimulated by increased applications in the pharmaceutical and industrial manufacturing sectors. Moreover, the utilization of green chemistry methods is helping cut down on waste and lessen the environmental impact of manufacturing processes.
Such a sustained focus on creativity and sustainability not only enlarges its practical applications but also secures that the beneficial usage of its properties by industries happens responsibly and environmentally.
Understanding Density in Practical Situations
Density, being mass per unit volume, is the most important principle that finds application in various domains. According to the formula, Density = Mass/Volume; it is expressed in units such as units of kg/m3(for SI) or units of g/cm3(gram per cubic centimeter). Density measurement holds vital importance in the field of material science, fluid dynamics, and engineering; whenever density is understood for a particular material so that a process could be designed or improved upon.
Water maintains a standard density value of roughly 1 g/cm3 at a temperature of 4°C and hence serves as the most important reference point in many calculations. Materials with more density such as metals have densities that could range much higher compared to one, having lead densities nearing 11.34 g/cm3. Contrarily, materials such as wood or foams with lighter molecules end up having lesser densities and hence would float on water.
Recent data points to density being a vital factor in modern industries. For instance, the transportation industry uses material densities in making decisions that enhance fuel efficiency by keeping the components light without compromising on structural integrity. Density definitions are more evident in the oil and gas industry in that they help determine the few qualities of measured forms of crude oil.
With technology advancements, density measurement itself has become more precise with such instrumentation as digital hydrometers and density meters-improving quality control applications within industries. With the global interest in sustainable solutions, density understanding that rejects would be significant for the development of lightweight composite materials—while these are widely used in automotive and aerospace applications.
Future research directions
In my view, future research should focus on improving the processes employed in the synthesis of 2-methylcyclohexanol in order to render them efficient and sustainable. Simultaneously, the ability to form new materials and their environmental impact must be studied for greater industrial and ecological profit.
Exploring New Applications
Several promising applications of 2-methylcyclohexanol have been developed in recent years across various industries with the most important one being its use as an intermediate for advanced polymer synthesis and performance chemicals. Its chemical structure and properties make 2-methylcyclohexanol particularly useful for the manufacture of materials with improved properties such as hardness and flexibility-real-essential properties for high-tech applications. Polymer science is evolving, and it appears that derivatives of 2-methylcyclohexanol could be employed for impact-resistant coatings and adhesives, which are rapidly becoming wanted.
Besides that, the compound also has promising applications in the pharmaceutical industry in the synthesis of complex organic compounds. More and more research suggests that it can be used for stereospecific syntheses that provide an efficient route to enantiomerically pure products, which are important in current-day drug development.
Research into sustainable routes for the production of 2-methylcyclohexanol and hence the sustainability of the entire value chain has gained attention recently. It has been estimated that the use of renewable feedstocks and the implementation of green chemistry principles could cut down the carbon footprints from production activities by as much as 30%. This piecing nowadays with the general sustainability agenda makes 2-methylcyclohexanol a profitable proposition to greener industries.
These insights clearly demonstrate the multiutility nature of the compound opening up wider prospects for future research and industrial applications. With further research, this promise can be even more greatly translated into bigger and broader areas of application, completely satisfying high-performance applications simultaneously with sustainable development goals.
Studying Density Variations
The density of 2-methylcyclohexanol, a widespread solvent in chemical synthesis, varies with the change in temperature and isomeric form. Recent data indicate that, at 20°C, this compound manifests a density of approximately 0.92 g/cm³. It is a matter of concern, given that its comparatively low density value against water can prove influential when considering its behavior in mixtures and reactions.
It has been observed that its density decreases slightly with increasing temperature due to its thermal expansion. Therefore, at 40°C, the experimentally calculated density appears to have reduced to about 0.90 g/cm³. Such predictable density changes could make it easier to find appropriate conditions for meeting the requirements of its optimal application in industrial processes.
Furthermore, cis- and trans-isomers of the compound dump possibility to the variance in its physical properties, including the density one. Some aspects of density variation are considered through computational chemistry and spectroscopic methods to bring about a clue on how these isomeric conformations affect the mode of interactions with other entities or substances, such as solvents or reactants.
Industries can then wield such data to better the accuracy of reaction parameters, hence good yields, and perhaps less waste. Essentially, metering densities in much detail—and of course the utility derived therefrom—will facilitate two things: process efficiency and process sustainability, both of which are big priorities in the scientific and environmental agenda.
Reference sources
1. The role of hydrogen bonds in thermodynamic and structural properties in binary mixtures of morpholine + 2-methylcyclohexanol: a combined experimental and computational study
- Authors: Razieh Mirzaee, Azim Soltanabadi, Sharam Ranjbar, Zahra Fakhri
- Journal: Structural Chemistry
- Publication Date: July 16, 2021
- Citation: (Mirzaee et al., 2021, pp. 2319–2332)
Summary:
This study investigates the thermodynamic and structural properties of binary mixtures of morpholine and 2-methylcyclohexanol. The authors employed both experimental and computational methods to analyze the role of hydrogen bonding in these mixtures.
Key Findings:
- The presence of hydrogen bonds significantly influences the thermodynamic properties of the mixtures.
- The study provides insights into the structural arrangement of the components in the mixture, which is crucial for understanding their behavior in various applications.
Methodology:
- Experimental measurements of density and other thermodynamic properties were conducted.
- Computational simulations were performed to model the interactions between the molecules in the mixture.
2. A combined experimental and computational investigation of the binary mixtures of 2-methylcyclohexanol and isobutanol
- Authors: Zahra Fakhri, S. Ranjbar, Azim Soltanabadi
- Journal: Structural Chemistry
- Publication Date: January 14, 2021
- Citation: (Fakhri et al., 2021, pp. 1459–1472)
Summary:
This research focuses on the binary mixtures of 2-methylcyclohexanol and isobutanol, exploring their thermodynamic properties through both experimental and computational approaches.
Key Findings:
- The study reveals how the mixing behavior of these two alcohols is affected by their molecular interactions.
- The results indicate that the density and other thermodynamic properties vary significantly with composition.
Methodology:
- Experimental density measurements were taken for various compositions of the binary mixture.
- Computational methods were used to predict the behavior of the mixtures based on molecular dynamics simulations.
3. A combined experimental, geometry optimization and molecular dynamic simulations study of the binary mixtures of cis and trans 2-methylcyclohexanol and aniline
- Authors: Zahra Fakhri, Mozhgan Taladokht Azad
- Journal: The Journal of Chemical Thermodynamics
- Publication Date: November 4, 2020
- Citation: (Fakhri & Azad, 2020, p. 106322)
Summary:
This study examines the binary mixtures of cis and trans 2-methylcyclohexanol with aniline, focusing on their thermodynamic properties and molecular interactions.
Key Findings:
- The study highlights the differences in behavior between the cis and trans isomers of 2-methylcyclohexanol when mixed with aniline.
- The findings contribute to a better understanding of how these mixtures can be utilized in chemical processes.
Methodology:
- Experimental density measurements were conducted alongside geometry optimization and molecular dynamics simulations to analyze the interactions in the mixtures.
Frequently Asked Questions (FAQs)
What is the density of 2-methylcyclohexanol and how does it matter?
Density is an important physical property of 2-methylcyclohexanol that dictates its behavior in various applications such as chemical synthesis or when preparing mixtures. At about 20°C, the density of the compound determines its ability to interact with solvents and other compounds.
What are safety information and handling issues associated with 2-methylcyclohexanol?
Personal protective equipment such as respirators and goggles should be worn when handling 2-methylcyclohexanol to prevent exposure to irritation to the eyes and skin. A Material Safety Data Sheet (MSDS) provides all safety information concerning the substance and handling procedures.
How does the melting point compare with the density of 2-methylcyclohexanol?
2-methylcyclohexanol’s melting point is a very important property, which along with its density, can provide information on phase behavior as a function of temperature. Both properties hold great significance in applications relating to organic solvents and chemical synthesis.
How is 2-methylcyclohexanol chemically described?
CH3C6H10OH: 2-methylcyclohexanol can be regarded as an alcohol presenting a mixture of cis and trans isomers. A peculiar structure leads to a peculiar property, like density and boiling point.
How does 2-methylcyclohexanol behave with oxidants?
2-methylcyclohexanol is generally prone to oxidation in which either strong reducing agents or oxidizing agents convert it into aldehydes or ketones. These reactions must be known well when dealing with chemical synthesis and application to ensure appropriate handling.
What other documentations are available on 2-methylcyclohexanol?
Technical documents and published research reports provide an abundance of information about the properties, reactions, and safety of 2-methylcyclohexanol. These are valuable resources for anyone working with this compound.
Does 2-methylcyclohexanol affect epoxide hydrolase activity?
Some studies indicate that 2-methylcyclohexanol may have some influence on the epoxide hydrolase activity of whole-cells, which is an important consideration for its interaction with organic solvents on epoxide hydrolase. Understanding these effects is necessary for its application in biochemistry and pharmacology.
What is the ignition hazard that 2-methylcyclohexanol presents?
Given the chemical properties of 2-methylcyclohexanol, ignition hazards may arise if there is an open flame present as an ignition source. Therefore, adequate safety precautions must be ensured: spills can be tackled with alcohol-resistant foam and remember to ventilate well when handling.
