PRODUCTS

3,5,5-TRIMETHYLHEXANOIC ACID

3,5,5-Trimethylhexanoic acid's ability to function as a plasticizer is especially beneficial in the production of flexible plastics and coatings.
In medical and pharmaceutical contexts, 3,5,5-Trimethylhexanoic acid has been explored for its potential in drug delivery systems, where it may be utilized to help encapsulate active pharmaceutical ingredients (APIs) and enhance their solubility or bioavailability.
3,5,5-Trimethylhexanoic acid's contribution to reducing environmental harm has also been an area of growing interest, helping to reduce the ecological footprint of industrial processes.

CAS Number: 26896-18-4
EC Number: 248-092-3
Molecular Formula: C9H18O2
Molecular Weight: 158.24

Synonyms: ISONONANOIC ACID, 7-methyloctanoic acid, 26896-18-4, 693-19-6, Octanoic acid, 7-methyl-, Isononanoicacid, 7-methyl-octanoic acid, 7-methyl caprylic acid, tert-Nonanoic acid, Isononansaure, isononanic acid, iso-nonanoic acid, 7-Methyloctansaeure, 7-Methyl-octansaeure, 7-methylcaprylic acid, CeKanoic9, CeKanoic C9 acid, INA, ISO CK 9, Isononansäure, Isononylic acid, Isopelargonic acid, i-Nonansäure, 7-methyl caprylic acid, 7-methylcaprylic acid, isononanic acid, 7-methyl-octanoic acid, isononanoic acid, 7-METHYL OCTANOIC ACID, ISONONANOIC ACID, Methyloctanoicacid, Isononansaure, I-NONANOICACID, 7-methylcaprylic acid, 221-975-0 [EINECS], 248-092-3 [EINECS], 26896-18-4 [RN], 3,5,5-Trimethylhexanoic acid [ACD/IUPAC Name], 3,5,5-Trimethylhexansäure [German] [ACD/IUPAC Name], 3302-10-1 [RN], 512-34-5 [RN], Acide 3,5,5-triméthylhexanoïque [French] [ACD/IUPAC Name], Hexanoic acid, 3,5,5-trimethyl- [ACD/Index Name], Isononanoic acid, Isononanoic-Acid, [3302-10-1], >95%, 01.10.3302, 3,5,5-TRIMETHYL HEXANOIC ACID, 3,5,5-trimethylhexanoic acid, 97%, 3,5,5-TrimethylhexanoicAcid, Hexanoic acid,3,5,5-trimethyl-, 221-975-0 [EINECS], 248-092-3 [EINECS], 26896-18-4 [RN], 3,5,5-Trimethylhexanoic acid [ACD/IUPAC Name], 3,5,5-Trimethylhexansäure [German] [ACD/IUPAC Name], 3302-10-1 [RN], 512-34-5 [RN], Acide 3,5,5-triméthylhexanoïque [French] [ACD/IUPAC Name], Hexanoic acid, 3,5,5-trimethyl- [ACD/Index Name], Isononanoic acid, Isononanoic-Acid, [3302-10-1], >95%, 01.10.3302, 3,5,5-TRIMETHYL HEXANOIC ACID, 3,5,5-trimethylhexanoic acid, 97%, 3,5,5-TrimethylhexanoicAcid, Hexanoic acid,3,5,5-trimethyl-, 3,5,5-Trimethylhexanoic acid, 3302-10-1, Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanoicacid, 3,5,5-trimethyl-hexanoic acid, DTXSID6029254, AW943Q219O, NSC-52185, NSC52185, EINECS 221-975-0, MFCD00020507, NSC 52185, KYOWANOIC N, ISONONANIOC ACID, ISONONANOIC-ACID, AI3-22275, 3,5-Trimethylhexanoic acid, SCHEMBL143938, 3,5,5 trimethylhexanoic acid, Hexanoic acid,5,5-trimethyl-, DTXCID409254, 3,5,5-trimethyl hexanoic acid, CHEMBL3182142, CHEBI:179890, Tox21_200081, LMFA01020153, 3/5/5-TRIMETHYLHEXANOIC ACID, AKOS009100463, NCGC00248517-01, NCGC00257635-01, LS-13708, CAS-3302-10-1, DB-068739, CS-0077120, NS00001830, T0630, EN300-24903, EC 221-975-0, F71193, Q15725607

3,5,5-Trimethylhexanoic acid is a saturated branched-chain fatty acid, primarily derived from nonyl alcohol and widely used in industrial and cosmetic applications.
3,5,5-Trimethylhexanoic acid has a molecular structure characterized by a carboxyl group (-COOH) attached to a nine-carbon backbone with a methyl group branching off at the fourth carbon position.

This unique structure gives 3,5,5-Trimethylhexanoic acid distinct chemical properties, making it a versatile compound in various formulations.
In the cosmetic industry, 3,5,5-Trimethylhexanoic acid is often used as an emulsifier, stabilizing formulations by helping to mix oil and water components.

3,5,5-Trimethylhexanoic acid also functions as a solvent, helping to dissolve other ingredients and improve the texture and feel of the final product.
3,5,5-Trimethylhexanoic acid's mildness and skin compatibility make it suitable for use in personal care products such as lotions, creams, deodorants, and sunscreens.

In industrial settings, 3,5,5-Trimethylhexanoic acid is utilized in the production of esters that serve as plasticizers for polymers, enhancing flexibility and durability.
3,5,5-Trimethylhexanoic acid is also used in the manufacturing of lubricants, where it helps to improve the performance of metalworking fluids and other machinery lubricants.

3,5,5-Trimethylhexanoic acid's role as a modifier in the production of synthetic lubricants contributes to reducing friction and wear in mechanical processes.
In addition, 3,5,5-Trimethylhexanoic acid has applications in the synthesis of surfactants, which are crucial in cleaning agents and detergents.

The compound’s ability to reduce surface tension makes it useful in formulations that require efficient spreading and wetting properties.
This contributes to 3,5,5-Trimethylhexanoic acid's utility in various cleaning products, including industrial detergents, automotive cleaners, and household cleaners.

3,5,5-Trimethylhexanoic acid’s chemical stability and ability to form various derivatives further expand its usage, making it an essential component in a wide range of consumer and industrial applications.

3,5,5-Trimethylhexanoic acid is an essential carboxylic acid used extensively in industrial applications due to its high purity and reliable performance.
This versatile compound plays a pivotal role in the production of polyol ester-based synthetic lubricants, which are essential in the refrigeration and aviation sectors.

These synthetic lubricants are highly valued for their excellent thermal stability, low volatility, and enhanced lubricating properties, ensuring optimal performance in harsh environments and extreme temperatures.

3,5,5-Trimethylhexanoic acid is a critical carboxylic acid intermediate.
3,5,5-Trimethylhexanoic acid is used in the production of polyol ester based synthetic lubricants for refrigeration or aviation.

The high and consistent purity of 3,5,5-Trimethylhexanoic acid provides precise and reliable attributes to the applications.
3,5,5-Trimethylhexanoic acid is also used as a corrosion inhibitor in industrial fluids and coolants; as a monomer in the synthesis of alkyd resins for stoving enamels, two-component paints and in production

3,5,5-Trimethylhexanoic acid is an isomeric compound of formula C9H18O2 that serves various purposes.
3,5,5-Trimethylhexanoic acid is a colorless liquid that dissolves in organic solvents such as ethanol, ether, and benzene.

3,5,5-Trimethylhexanoic acid is used in the production of various chemicals, including esters, plasticizers, and lubricants.
3,5,5-Trimethylhexanoic acid is also used as a raw material in the production of coatings, adhesives, and inks.
The clear, colorless liquid with a faint odor is miscible with the usual organic solvents.

3,5,5-Trimethylhexanoic acid is only sparingly soluble in water.
Under the background of slower economy growth rate, companies face the higher risks of profit decline.

Currently, 3,5,5-Trimethylhexanoic acid market has a certain potential in Europe, USA and Japan.
These areas demand are relatively stable.
During these years, China's 3,5,5-Trimethylhexanoic acid demand maintains a rapid growth

Despite the presence of competition problems, due to the global recovery trend is clear, investors are still optimistic about this area.
In the future, the market in developed countries will have some growth and the market in developing countries will have a faster growth rate.

In the globe, emerging economies countries support the lubricant industry and metal working fluids industry, 3,5,5-Trimethylhexanoic acid will lead the increase of 3,5,5-Trimethylhexanoic acid demand.
Therefore, we think entering China and India market will be a good choice.

3,5,5-Trimethylhexanoic acid esters are used as base stocks for synthetic lubricants and metalworking fluids, and as plasticizers.
3,5,5-Trimethylhexanoic acid salts are used as paint driers and as polyvinyl chloride stabilizers.
3,5,5-Trimethylhexanoic acid peroxides are used as polymerization catalysts.

3,5,5-Trimethylhexanoic acid is a mixture of isomers with a 3, 5, 5-trimethylhexanoic acid content of about 90%, and is obtained by oxidation of the corresponding isononyl aldehyde.
The clear, colorless liquid with a faint odor is miscible with the usual organic solvents.
3,5,5-Trimethylhexanoic acid is only sparingly soluble in water.

3,5,5-Trimethylhexanoic acid is a type of fatty acid with nine carbon atoms.
3,5,5-Trimethylhexanoic acid is also called pelargonic acid.
3,5,5-Trimethylhexanoic acid chemical formula is C9H18O2.

3,5,5-Trimethylhexanoic acid is obtained by oxidation of isononyl aldehyde.
The acid is a mixture of isomers with 3, 5, 5-trimethyl hexanoic acid with weight percentage of about 90.

3,5,5-Trimethylhexanoic acid is a clear, colorless liquid with faint odor.
3,5,5-Trimethylhexanoic acid is miscible with organic solvents.

3,5,5-Trimethylhexanoic acid is only sparingly soluble in water.
The ECHA (European Chemicals Agency) classifies 3,5,5-Trimethylhexanoic acid as a dangerous material in CPA classifications, as 3,5,5-Trimethylhexanoic acid causes severe eye damage if exposed and causes skin irritation if swallowed.

3,5,5-Trimethylhexanoic acid is primarily applied as a plasticizer in cosmetics and personal care products.
3,5,5-Trimethylhexanoic acid is used as a skin conditioning agent, cleansing agent, and emulsifying agent in surfactant formulations.

3,5,5-Trimethylhexanoic acid is also used as a herbicide to prevent growth of weeds, both indoors and outdoors, and as a blossom thinner for apple and pear trees.
The Food & Drug Administration (FDA) has approved the usage of 3,5,5-Trimethylhexanoic acid as a food additive and has added 3,5,5-Trimethylhexanoic acid to the list of synthetic flavoring.
With this, 3,5,5-Trimethylhexanoic acid can now be added directly to food.

On the basis of the end users/applications, this report focuses on the status and outlook for major applications/end users, consumption (sales), market share and growth rate for each application, including:

3,5,5-Trimethylhexanoic acid's versatility extends beyond cosmetic and industrial applications.
3,5,5-Trimethylhexanoic acid's ability to function as a plasticizer is especially beneficial in the production of flexible plastics and coatings.

When used in these materials, 3,5,5-Trimethylhexanoic acid helps to enhance their workability, making them more adaptable to various shapes and uses while maintaining strength and durability.
This is particularly important in industries such as automotive, packaging, and construction, where high-performance materials are essential.

In the electronics industry, 3,5,5-Trimethylhexanoic acid plays a role in the production of semiconductors and other electronic components.
3,5,5-Trimethylhexanoic acid is involved in the creation of stabilizers for certain polymers used in wiring and insulation materials, helping to improve their thermal and mechanical properties.
3,5,5-Trimethylhexanoic acid's inclusion in electronic components helps ensure better longevity and performance in devices that are subjected to harsh environments or high temperatures.

Furthermore, 3,5,5-Trimethylhexanoic acid has demonstrated potential in agricultural applications.
3,5,5-Trimethylhexanoic acid is used in the production of agrochemicals, such as pesticide formulations, where it helps enhance the spreadability and effectiveness of active ingredients on plant surfaces.
By improving the uniformity of pesticide application, 3,5,5-Trimethylhexanoic acid contributes to more efficient pest control while minimizing the environmental impact of pesticide use.

In medical and pharmaceutical contexts, 3,5,5-Trimethylhexanoic acid has been explored for its potential in drug delivery systems, where it may be utilized to help encapsulate active pharmaceutical ingredients (APIs) and enhance their solubility or bioavailability.
This property makes 3,5,5-Trimethylhexanoic acid a valuable compound for improving the effectiveness of certain medications, especially those with poor water solubility.

3,5,5-Trimethylhexanoic acid's contribution to reducing environmental harm has also been an area of growing interest.
By providing an alternative to more toxic plasticizers or surfactants, 3,5,5-Trimethylhexanoic acid helps reduce the ecological footprint of industrial processes.
In line with sustainability goals, manufacturers are exploring 3,5,5-Trimethylhexanoic acid's potential to replace harmful chemicals in various formulations, offering a safer, more eco-friendly option in numerous industries.

In summary, 3,5,5-Trimethylhexanoic acid is a highly adaptable compound, offering a wide range of benefits in fields such as cosmetics, industrial manufacturing, electronics, agriculture, and pharmaceuticals.
3,5,5-Trimethylhexanoic acid's unique properties make it indispensable for creating products with improved functionality, sustainability, and performance.

3,5,5-Trimethylhexanoic acid Market Overview:
The 3,5,5-Trimethylhexanoic acid industry is used in sectors such as lubricants, coatings, and cosmetics, thereby providing the most important benefits in terms of stability, corrosion resistance, and low volatility.
As per the 3,5,5-Trimethylhexanoic acid market report, 3,5,5-Trimethylhexanoic acid is widely used in high-performance lubricants to provide thermal and oxidative stability and in coatings to provide protection against corrosion.

In cosmetics, 3,5,5-Trimethylhexanoic acid is prized for its emollient properties and contributes to premium skincare formulations.
3,5,5-Trimethylhexanoic acid market trends suggest increased demand in the automotive and industrial sectors, where more advanced formulations are needed to ensure efficiency and durability, creating 3,5,5-Trimethylhexanoic acid industry opportunities.

Moreover, the growth in sustainable and bio-based production methods is a key driver to industry growth for 3,5,5-Trimethylhexanoic acid, following the overall global trend toward environmental concerns.
As the needs of the industries and consumers continue to change, 3,5,5-Trimethylhexanoic acid continues to play an important role in product performance improvement in various industries.

Uses of 3,5,5-Trimethylhexanoic Acid:
3,5,5-Trimethylhexanoic acid is widely used across various industries for its versatile properties.
In the chemical and manufacturing sectors, 3,5,5-Trimethylhexanoic acid serves as a plasticizer, enhancing the flexibility and durability of materials like PVC, coatings, and adhesives.

This makes 3,5,5-Trimethylhexanoic acid crucial in automotive, construction, and packaging industries, where strong, flexible materials are needed.
Additionally, 3,5,5-Trimethylhexanoic acid is utilized in the production of lubricants and as a stabilizer for polymers in electronics, improving the performance and longevity of components.

3,5,5-Trimethylhexanoic acid also plays a role in agriculture, where it's used in pesticide formulations to enhance spreadability and effectiveness.
In pharmaceuticals, 3,5,5-Trimethylhexanoic acid has potential applications in drug delivery systems, improving the solubility and bioavailability of certain active ingredients.
Overall, 3,5,5-Trimethylhexanoic acid’s multifunctional nature makes it a valuable compound in a wide range of applications, from everyday consumer products to high-performance industrial materials.

3,5,5-Trimethylhexanoic acid has various industrial and commercial uses, including:

Plasticizers:
3,5,5-Trimethylhexanoic acid is primarily used in the production of flexible PVC (polyvinyl chloride) and other plastics, enhancing their flexibility, durability, and stability.

Lubricants and Additives:
In the automotive and manufacturing industries, 3,5,5-Trimethylhexanoic acid is used to improve the performance of lubricants, oils, and greases by reducing friction and wear.

Coatings and Paints:
3,5,5-Trimethylhexanoic acid is used in coatings to enhance the durability, flexibility, and weather resistance of paints and varnishes.

Agriculture:
3,5,5-Trimethylhexanoic acid is an ingredient in some pesticide formulations, improving their effectiveness and spreadability.

Pharmaceuticals:
3,5,5-Trimethylhexanoic acid can be used in drug delivery systems to enhance the solubility and bioavailability of certain medications.

Adhesives and Sealants:
3,5,5-Trimethylhexanoic acid acts as a stabilizing agent in the production of adhesives and sealants, providing better bonding strength and durability.

Cosmetics:
3,5,5-Trimethylhexanoic acid is sometimes used in formulations to improve the texture and stability of cosmetic products.

Coatings:
3,5,5-Trimethylhexanoic acid is used as a monomer in the synthesis of alkyd resins for stoving enamels and two-component paints (primers and topcoats).
3,5,5-Trimethylhexanoic acid brings better yellowing performance in comparison to fatty acids.
Paint driers based on metal salts are also produced with 3,5,5-Trimethylhexanoic acid.

Lubricants:
Isoonanoic acid is used in the production of polyolester synthetic lubricants.

Industry Uses:
Paint additives and coating additives not described by other categories
Surface active agents
Other
Intermediates
Intermediate
Corrosion inhibitors and anti-scaling agents
Not Known or Reasonably Ascertainable
Absorbent
Lubricants and lubricant additives

Consumer Uses:
Lubricants and lubricant additives

Other Uses:
Coating and paint,
Cosmetics and personal care,
Metal working fluids,
Lubricant,
Plasticizer

Benefits of 3,5,5-Trimethylhexanoic Acid:

The benefits of 3,5,5-Trimethylhexanoic acid across various industries and applications include:

Improved Flexibility and Durability:
In plastics and coatings, 3,5,5-Trimethylhexanoic acid enhances the flexibility and durability of materials, making them more resistant to cracking, weathering, and degradation over time.

Enhanced Performance in Lubricants:
In lubricants, 3,5,5-Trimethylhexanoic acid improves performance by reducing friction, wear, and heat buildup, leading to longer-lasting equipment and more efficient operations.

Better Adhesion and Bonding:
As an additive in adhesives and sealants, 3,5,5-Trimethylhexanoic acid improves bonding strength, ensuring long-lasting and reliable connections between surfaces.

Pesticide Effectiveness:
In agriculture, 3,5,5-Trimethylhexanoic acid can improve the spreadability and effectiveness of pesticides, leading to better coverage and enhanced protection for crops.

Increased Bioavailability in Pharmaceuticals:
When used in pharmaceutical formulations, 3,5,5-Trimethylhexanoic acid can increase the solubility and bioavailability of certain drugs, improving their effectiveness and absorption by the body.

Enhanced Texture in Cosmetics:
In cosmetics, 3,5,5-Trimethylhexanoic acid helps improve the texture, stability, and spreadability of products, leading to better user experience and product efficacy.

Environmental Compatibility:
3,5,5-Trimethylhexanoic acid is often considered a safer, more environmentally friendly option compared to other chemicals in similar applications, reducing the environmental impact of industrial processes.

General Manufacturing Information of 3,5,5-Trimethylhexanoic Acid:
The manufacturing of 3,5,5-Trimethylhexanoic acid typically begins with the use of petrochemical feedstocks such as 1-octene or decene.
These alkenes are dimerized using catalysts, such as Ziegler-Natta or metallocene catalysts, to form C16 dimers.

The next step involves the oxidation and carboxylation of these dimers, introducing the carboxyl group (-COOH) to form the C9 dicarboxylic acid structure.
This reaction is achieved through a combination of carbon monoxide and oxygen in the presence of specific catalysts.

After the reaction, 3,5,5-Trimethylhexanoic acid undergoes a purification process involving distillation and filtration to remove impurities and byproducts.
The purified 3,5,5-Trimethylhexanoic acid is then crystallized to achieve the desired purity.

The final product is used in various applications, such as plasticizers, lubricants, and coatings.
Throughout the manufacturing process, careful control of temperature, pressure, and catalyst concentration is essential for optimizing yield and ensuring the desired quality of 3,5,5-Trimethylhexanoic acid.

Industry Processing Sectors:
Not Known or Reasonably Ascertainable
Plastics Material and Resin Manufacturing
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Petroleum Lubricating Oil and Grease Manufacturing
All Other Basic Organic Chemical Manufacturing

Properties of 3,5,5-Trimethylhexanoic Acid:
The 3,5,5-Trimethylhexanoic acid, with the CAS registry number 26896-18-4.
3,5,5-Trimethylhexanoic acid EINECS registry number is 248-092-3.

3,5,5-Trimethylhexanoic acid's molecular formula is C9H18O2 and molecular weight is 158.24.
3,5,5-Trimethylhexanoic acid is clear, colourless liquid.

History of 3,5,5-Trimethylhexanoic Acid:
3,5,5-Trimethylhexanoic acid has a history rooted in the petrochemical industry, with its first commercial synthesis occurring in the mid-20th century.
Initially, the compound was produced as a byproduct of dimerization processes used in the manufacture of C8-C10 fatty acids.

Over time, demand for 3,5,5-Trimethylhexanoic acid grew due to its valuable properties as a plasticizer, solvent, and lubricant.
3,5,5-Trimethylhexanoic acid's application expanded into industries such as automotive, coatings, and personal care due to its effectiveness in improving flexibility, durability, and performance.

Research into 3,5,5-Trimethylhexanoic acid's environmental and health impacts also accelerated in the late 20th century, as companies began looking for safer, more sustainable alternatives to traditional plasticizers.
Today, 3,5,5-Trimethylhexanoic acid is produced using advanced catalytic processes and is an integral component in the production of high-performance materials.

Handling and Storage of 3,5,5-Trimethylhexanoic Acid:

Handling:
Ensure adequate ventilation in the work area.
Avoid inhalation, contact with skin, and eyes.
Use appropriate safety equipment such as gloves and protective goggles.

Storage:
Store in a cool, dry place away from direct sunlight and incompatible materials like strong oxidizing agents.
Keep containers tightly sealed when not in use.
Ensure proper labeling.

Reactivity and Stability of 3,5,5-Trimethylhexanoic Acid:

Reactivity:
3,5,5-Trimethylhexanoic acid is stable under normal conditions but may react with strong oxidizers and bases.

Stability:
Stable under recommended storage conditions.
Decomposes at elevated temperatures, producing toxic gases.
Avoid exposing to high heat, sparks, or open flames.

First Aid Measures of 3,5,5-Trimethylhexanoic Acid:

Inhalation:
Move the person to fresh air immediately.
If symptoms persist, seek medical attention.

Skin Contact:
Wash affected area with soap and water.
If irritation persists, seek medical attention.

Eye Contact:
Flush eyes immediately with water for at least 15 minutes.
Seek medical attention if irritation persists.

Ingestion:
Rinse mouth with water.
Do not induce vomiting.
Seek medical attention immediately.

Firefighting Measures of 3,5,5-Trimethylhexanoic Acid:

Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.
Water can also be used but may spread the fire.

Firefighting Instructions:
Wear self-contained breathing apparatus and protective clothing.
Avoid breathing smoke or fumes.

Hazardous Combustion Products:
Carbon oxides (CO, CO2) and other toxic fumes may be produced upon decomposition.

Accidental Release Measures of 3,5,5-Trimethylhexanoic Acid:

Personal Precautions:
Wear appropriate protective equipment (gloves, goggles, respirator) before cleaning up spills.

Spill Cleanup:
Contain and absorb the spill with inert material (e.g., sand, earth).
Transfer to a properly labeled container for disposal.

Environmental Precautions:
Prevent the material from entering drains, watercourses, or sewers.

Exposure Controls/Personal Protective of 3,5,5-Trimethylhexanoic Acid:

Occupational Exposure Limits:
Follow the guidelines provided by local regulatory bodies (e.g., OSHA, NIOSH).

Engineering Controls:
Ensure proper ventilation in work areas.
Use local exhaust systems where necessary.

Personal Protective Equipment (PPE):

Eyes:
Wear safety goggles or face shield.

Skin:
Use protective gloves and clothing.

Respiratory Protection:
Use a suitable respirator when airborne concentrations exceed recommended levels.

Identifiers of 3,5,5-Trimethylhexanoic Acid:
CAS No: 26896-18-4
Chemical Name: 3,5,5-Trimethylhexanoic acid
CBNumber: CB6412681
Molecular Formula: C9H18O2
Molecular Weight: 158.24
MDL Number: MFCD00055380

Supplier: Oq Chemicals
CAS: 3302-10-1
Synonyms: 7-methyl octanoic acid, Isopelargonic acid, 7-methyl caprylic acid
Applications: Chemical Intermediate, Monomer
Characteristics: Colorless liquid with slight, acidic odor
Benefits: High purity

Properties of 3,5,5-Trimethylhexanoic Acid:
ACD/LogP: 3.25.
# of Rule of 5 Violations: 0.
ACD/LogD (pH 5.5): 2.46.
ACD/LogD (pH 7.4): 0.66;.
ACD/BCF (pH 5.5): 27.89.
ACD/BCF (pH 7.4): 1.
ACD/KOC (pH 5.5): 224.1.
ACD/KOC (pH 7.4): 3.6.
#H bond acceptors: 2.
#H bond donors: 1.
#Freely Rotating Bonds: 6.
Index of Refraction: 1.439.
Molar Refractivity: 45.26 cm3.
Molar Volume: 172 cm3.
Surface Tension: 32 dyne/cm.
Density: 0.919 g/cm3.
Flash Point: 129.7 °C.
Enthalpy of Vaporization: 54.04 kJ/mol.
Boiling Point: 253.4 °C at 760 mmHg.
Vapour Pressure: 0.0057 mmHg at 25°C.

Grade: Technical
Form: Liquid
Appearance: liquid
Auto Ignition Temperature: 320 - 415 °C (608 - 779 °F)
Boiling Point: 236 °C (457 °F)
Color: colourless
Density: 0.9 g/cm3 @ 20 °C (68 °F)
Dynamic Viscosity: 11.47 mPa.s @ 20 °C (68 °F)
Flash Point: 117 °C (243 °F) Method: ISO 2719
Lower Explosion Limit: 1.2 %(V)
Melting Point: -77 °C (-107 °F)
Odor: Slight, Acidic
Partition Coefficient: Pow: log Pow: 3.2
pH: 4.4 @ 20 °C (68 °F)
Relative Density: 0.9 @ 20 °C (68 °F) Reference Material: (water = 1)
Surface Tension: 35.3 mN/m
Vapor Pressure: 0.0046 hPa @ 20 °C (68 °F)

Molecular Weight: 158.24 g/mol
XLogP3-AA: 2.8
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 4
Exact Mass: 158.130679813 Da
Monoisotopic Mass: 158.130679813 Da
Topological Polar Surface Area: 37.3 Å²
Heavy Atom Count: 11
Complexity: 133
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Specifications of 3,5,5-Trimethylhexanoic Acid:
Chemical Name: 3,5,5-Trimethylhexanoic acid
Molecular Formula: C9H18O2
Molecular Weight: 158.2
Appearance: Clear transparent liquid
Purity: 99% (min)

Names of 3,5,5-Trimethylhexanoic Acid:

Regulatory process name:
3,5,5-Trimethylhexanoic acid

IUPAC names:
7-methyloctanoic acid
3,5,5-Trimethylhexanoic acid
3,5,5-Trimethylhexanoic acid

Other identifier:
26896-18-4