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DESCRİPTİON
2-Butyl-1-octanol (CAS# 3913-02-8) is used as a precursor in the synthesis of 5-(Bromomethyl)-undecane (B687375); a useful reagent in the preparation of alkyl triazole glycosides (ATGs) which is a new class of bio-related sufactants.
CAS: 3913-02-8
SYNONYMS
2-butyloctan-1-ol,2-BUTYL-1-OCTANOL,2-Butyloctan-1-ol,3913-02-8,-Butyloctanol
Butyloctanol,1-Octanol, 2-butyl-,2-Butyloctyl alcohol,2-Butyl-1-n-octanol,5-(Hydroxymethyl)undecane,Michel XO-150-12,DTXSID0044818,Jarcol I-12,:84235,5-Hydroxymethylundecane,GUERBET DODECANOL,N442D9VO79,NSC 2414,NSC-2414,EINECS 223-470-0,MFCD00053508,ISOFOL 12 ALCOHOL,BRN 1738522,UNII-N442D9VO79,AI3-19958,DTXCID8024818,(+/-)-2-BUTYLOCTANOL,2-BUTYLOCTANOL, (+/-)-,MICHEL XO-150-12 ISO-LAURYL ALCOHOL,EC 223-470-0,4-01-00-01855 (Beilstein Handbook Reference),6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole,dl-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)thiazole,2,3,5,6-Tetrahydro-6-phenyl-(S)-Imidazo[2,1-b]thiazole,2,3,5,6-Tetrahydro-6-phenyl-(+-)-Imidazo(2,1-b)thiazole,6-Phenyl-2,3,5,6-tetrahydro-imidazo(2,1-b)thiazole,2,3,5,6-Tetrahydro-6-phenyl-(S)-imidazo(2,1-b)thiazole,2butyloctanol,2Butyl1octanol,2Butyloctan1ol,2-butyl octanol,Isolauryl aclohohol,1Octanol, 2butyl,2Butyloctyl alcohol,2-butyl-octan-1-ol,(.+-.)-Tetramisole,5(Hydroxymethyl)undecane,2-Butyl-n-octyl Alcohol,BUTYLOCTANOL [INCI],SCHEMBL15370,2-Butyl-1-octanol, 95%,CHEMBL3183262,WLN: Q1Y6&4,NSC2414,Tox21_301274,LMFA05000612,AKOS015912690,NCGC00256026-01,AS-81317,BP-31207,SY052296,CAS-3913-02-8,DB-121797,B3457,CS-0152304,NS00002827,C22404,D97420,Q27157606
CHEMICAL PROPERTIES OF 2-BUTYL-1-OCTANOL:
IUPAC Name
2-butyloctan-1-ol
Chemical Formula, C12H26O
Average Molecular Weight, 186.3342
Monoisotopic Molecular Weight, 186.198365454
IUPAC Name, 2-butyloctan-1-ol
Traditional Name, butyloctanol
CAS Registry Number, 3913-02-8
SMILES, CCCCCCC(CO)CCCC
InChI Identifier, InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChI Key, XMVBHZBLHNOQON-UHFFFAOYSA-N
APPLICATIONS OF 2-BUTYL-1-OCTANOL:
1. Cosmetics industry: As the carrier of flavors and fragrances, it helps the evenly distributed fragrances and improves their solubility in cosmetics.
At the same time, it can also be used as an emulsifier to help mix oily ingredients with aqueous ingredients.
2. Paint and coating industry: Used as a solvent, it can improve the dispersibility of pigments and resins, and help adjust the viscosity and drying speed of coatings.
3. Printing ink industry: used to improve the flow and drying characteristics of ink, as well as improve the adhesion of ink on different substrates such as paper or plastic.
4. Agricultural chemicals: As a synergist or dispersant, it is used in chemical preparations such as pesticides and herbicides to help the active ingredients better penetrate the plant surface or soil and improve the efficacy.
5. Cleaning agent industry: Used as a surfactant to help cleaning agents remove grease and other stains more effectively.
6. Electronics industry: materials used to manufacture liquid crystal displays (LCDs) and touch screens, as well as cleaning fluids in semiconductor manufacturing processes.
7. Food additive industry: Although mainly used for non-edible purposes, in some cases, it may be used as a treatment agent for food packaging materials or used to manufacture cleaning agents used in food processing.
2-butyl-1-octanol i̇s A solvent and surfactant wi̇th low vi̇scosi
Furthermore, i̇t acts as an emulsi̇fi̇er, ai̇di̇ng i̇n the creati̇on of stable emulsi̇ons, and as A stabi̇li̇zer for suspensi̇ons, helpi̇ng to mai̇ntai̇n thei̇r homo
In addi̇ti̇on, 2-butyl-1-octanol serves as A reagent i̇n the synthesi̇s of di̇verse compounds, i̇ncludi̇ng carboxyli̇c aci̇ds and
It also parti̇ci̇pates as A reactant i̇n the synthesi̇s of vari̇ous compounds, such as alcohols and am
2-Butyl-1-octanol, also known as 2-butyloctyl alcohol, belongs to the class of organic compounds known as fatty alcohols.
These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
Thus, 2-butyl-1-octanol is considered to be a fatty alcohol.
Based on a literature review a significant number of articles have been published on 2-Butyl-1-octanol.
2-butyl-1-octanol (buoa) has been used to synthesi̇ze
2-butyl-1-octyl-methacrylate (boma)
3,5,5-tri̇methyl-1-hexyl methacrylate (tmhma
Hydrophobi̇c polyesters i̇n mi̇ni̇emulsi̇on i̇n the presence of large amounts of
2-butyl-1-octanol has also been used as an extracti̇on solvent i̇n extracti̇ve fed-batch experi̇me
2-butyl-1-octanol (buoa) has been used to synthesi̇ze: 2-butyl-1-octyl-methacrylate (boma)[2] 3,5,5-tri̇methyl-1-hexyl methacrylate (tmhma)[2] hydrophobi̇c polyesters i̇n mi̇ni̇emulsi̇on i̇n the presence of large amounts
2-Butyl-1-octanol is an organic compound with the chemical formula C10H22O.
2-butyl-1-octanol belongs to the alcohol family, specifically a type of primary alcohol, where the hydroxyl group (-OH) is attached to the first carbon of a straight-chain octane molecule.
2-butyl-1-octanol is sometimes referred to as a butyl octanol due to its structure, which consists of a butyl group (C4H9) attached to an octanol backbone (C8H17).
Importance in Industry and Research: 2-Butyl-1-octanol is significant in both industrial and chemical research settings due to its wide array of uses, particularly in the production of fragrances, flavors, and various synthetic chemicals.
Additionally, it plays a role in agricultural chemistry and has been evaluated for its potential in enhancing pharmaceutical formulations.
Research into this compound has also led to studies on its environmental behavior and toxicological effects.
Molecular Structure: The structure of 2-butyl-1-octanol consists of a hydroxyl group (-OH) attached to the first carbon of an octane chain.
The butyl group (C4H9) is attached to the second carbon atom of the octane backbone, making this compound a long-chain alcohol.
PHYSICAL PROPERTIES:
Boiling Point: 212°C (413.6°F)
Melting Point: -78°C (-108.4°F)
Density: 0.832 g/cm³ at 20°C
Solubility: Slightly soluble in water; soluble in organic solvents like ethanol, ether, and chloroform.
Odor: 2-butyl-1-octanol has a mild, floral, or fruity odor, which makes it suitable for use in fragrances and flavorings.
Chemical Reactivity: As a primary alcohol, 2-butyl-1-octanol is reactive towards oxidation.
2-butyl-1-octanol can be oxidized to its corresponding aldehyde (2-butyl-1-octanal) or even further to a carboxylic acid (2-butyl-octanoic acid).
2-butyl-1-octanol can also undergo esterification reactions, where it reacts with acids to form esters, which are commonly used in the fragrance industry.
SYNTHESİS METHODS
Laboratory Synthesis: In laboratory settings, 2-butyl-1-octanol can be synthesized through a variety of methods.
One common approach is the hydroformylation of 1-octene using a butyl group derived from a butane or butene source.
This reaction involves adding a formyl group (-CHO) and a hydrogen atom to the carbon-carbon double bond, followed by reduction to the alcohol.
Another method involves reduction of the corresponding aldehyde, 2-butyl-1-octanal, using a suitable reducing agent such as sodium borohydride or hydrogen gas in the presence of a palladium or platinum catalyst.
Industrial Production: In industry, 2-butyl-1-octanol is often produced in large quantities using a hydroformylation reaction followed by reduction.
This method allows for a cost-effective synthesis of the alcohol, as it utilizes readily available olefins (like 1-octene) and feedstocks (such as butene or butane).
Reaction Pathways: Hydroformylation is the primary industrial pathway, as it yields high quantities of the desired alcohol with good selectivity.
The subsequent reduction of the aldehyde to the alcohol completes the process.
Other potential methods include direct hydration of octene under controlled conditions, though this method is less common.
APPLİCATİONS
Use in Fragrances and Flavors: 2-Butyl-1-octanol is widely used in the fragrance industry due to its mild, pleasant odor.
2-butyl-1-octanol is found in a variety of products such as perfumes, colognes, and air fresheners.
Its ability to mimic floral and fruity scents makes it valuable for flavoring beverages, foods, and confections.
Role in Chemical Synthesis: The compound serves as an intermediate in the synthesis of various chemicals. It is used in the production of plasticizers, which are chemicals added to plastics to increase their flexibility.
Additionally, it can be involved in the manufacture of surfactants, lubricants, and other chemical formulations.
Applications in Agriculture and Pharmaceuticals: In agriculture, 2-butyl-1-octanol is used in formulations for pesticide delivery systems due to its solvency properties.
2-butyl-1-octanol enhances the solubility of active ingredients in pesticides and herbicides, ensuring more efficient application.
In pharmaceuticals, it has potential as a solvent in drug formulations or as part of controlled-release systems.
RECENT ADVANCES AND RESEARCH
Developments in Synthesis: Recent research into the synthesis of 2-butyl-1-octanol has focused on improving the efficiency and sustainability of industrial production methods. Green chemistry approaches are being explored to reduce energy consumption and minimize waste in the hydroformylation process.
For example, catalysts that operate at lower temperatures and pressures are being developed, potentially reducing the environmental footprint of production.
Additionally, efforts are underway to improve the selectivity of the reaction to increase the yield of 2-butyl-1-octanol while minimizing the formation of by-products. These advances not only make the process more cost-effective but also reduce the need for harmful solvents.
Innovations in Industrial Use: In the fragrance and flavor industry, new applications of 2-butyl-1-octanol are being explored.
Researchers are studying its potential in combination with other chemicals to create novel scents and flavor profiles that meet consumer preferences.
The development of new delivery methods, such as encapsulation techniques, may enhance the stability and release of fragrances in cosmetic and household products.
Research in Toxicology and Environmental Science: Toxicological research is expanding to understand the long-term health effects of exposure to 2-butyl-1-octanol.
In particular, studies focus on its potential as an endocrine disruptor or its impact on reproductive health, as some alcohols have been shown to interfere with hormone function.
This area of research is essential for regulating safe exposure limits for both industrial workers and consumers.
On the environmental front, scientists are investigating the compound's behavior in different ecosystems, particularly in relation to its biodegradability and potential impact on soil and water quality.
There is a push to develop more comprehensive environmental risk assessments for compounds like 2-butyl-1-octanol to ensure safe use in industrial applications.
Summary of Uses and Risks: 2-Butyl-1-octanol is a versatile compound with a wide range of applications, particularly in the fragrance, flavor, and chemical synthesis industries.
Its pleasant odor makes it valuable in consumer products such as perfumes and food flavorings.
Furthermore, 2-butyl-1-octanol serves as an intermediate in the production of plasticizers, surfactants, and other industrial chemicals.
Despite its many uses, 2-butyl-1-octanol must be handled with care due to its potential health risks, especially with long-term exposure.
While 2-butyl-1-octanol has low acute toxicity, it can cause skin irritation and respiratory issues in high concentrations.
Researchers are working on improving synthesis methods to make production more sustainable, as well as investigating its long-term effects on both human health and the environment.
Future Trends in 2-Butyl-1-Octanol Application: As the demand for sustainable products grows, there will likely be an increased focus on green chemistry methods for synthesizing 2-butyl-1-octanol.
Additionally, innovations in its use in flavors and fragrances may continue to expand its application in consumer goods.
The growing body of research into the compound's environmental behavior and toxicological effects may lead to more refined safety regulations and guidelines, ensuring its responsible use across various industries.
Overall, 2-butyl-1-octanol holds significant promise in diverse fields, and ongoing advancements will likely enhance its utility and safety.
SAFETY INFORMATION ABOUT 2-BUTYL-1-OCTANOL
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product
