Density: 0.919 g/cm3; Boiling Point:253.4ºC at 760 mmHg

Isononanoic acid esters are used as base stocks for synthetic lubricants and metalworking fluids, and as plasticizers. 

Isononanoic acid salts are used as paint driers and as polyvinyl chloride stabilizers. 

Isononanoic acid peroxides are used as polymerization catalysts.

Methyloctanoicacid

I-NONANOICACID

Isononansaure

7-methylcaprylic acid

7-METHYL OCTANOIC ACID

Isononanoic acid

The term, isononanoic acid, which actually refers to 7-methyloctanoic acid (CAS No. 26896-18-4), is used for a technical-grade product consisting of a mixture of isomeric branched-chain carboxylic acids with 9 carbon atoms.

Depending on the production process employed, the mixture contains more than 90% 3,5,5-trimethylhexanoic acid (CAS No. 3302-10-1) or 2,2,4,4-tetramethylpentanoic acid (CAS No. 3302-12-3) as its main component. 

The present Toxicological Evaluation discusses data on both pure 7-methyloctanoic acid and technical-grade isononanoic acid.

7-methyloctanoic acid is a branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group. 

It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid.

Isononanoic 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. Isononanoic acid is only sparingly soluble in water.

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

EC/List no.: 248-092-3; CAS no.: 26896-18-4;i-Nonanoic acid; CAS No.: 3302-10-1 Mol. formula: C9H18O2

Isononanoic acid is a type of fatty acid with nine carbon atoms. It is also called pelargonic acid. Its chemical formula is C9H18O2. Isononanoic 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. Isononanoic acid is a clear, colorless liquid with faint odor. It is miscible with organic solvents. Isononanoic acid is only sparingly soluble in water. The ECHA (European Chemicals Agency) classifies isononanoic acid as a dangerous material in CPA classifications, as it causes severe eye damage if exposed and causes skin irritation if swallowed. Isononanoic acid is primarily applied as a plasticizer in cosmetics and personal care products. It is used as a skin conditioning agent, cleansing agent, and emulsifying agent in surfactant formulations. It 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 isononanoic acid as a food additive and has added it to the list of synthetic flavoring. With this, it can now be added directly to food.

Isononanoic Acid Market: Overview

Name of substance

Usual name Isononanoic acid

IUPAC name Isononanoic acid

CAS No. 26896-18-4 (7-methyloctanoic acid)

3302-10-1 (3,5,5-trimethylhexanoic acid)

3302-12-3 (2,2,4,4-tetramethylpentanoic acid

EINECS No. 248-092-3 (7-methyloctanoic acid)

221-975-0 (3,5,5-trimethylhexanoic acid)

Synonyms, common and trade names:

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

Structural and molecular formulae

Structural formula

7-Methyloctanoic acid(CAS No. 26896-18-4)

3,5,5-Trimethylhexanoic acid(CAS No. 3302-10-1)

2,2,4,4-Tetramethylpentanoic acid(CAS No. 3302-12-3)

Physical and chemical properties

Molecular mass, g/mol 158.24

Melting point, °C ca. –70 (purity not specified, and technical grade isononanoic acid containing ≥ 97.5% 3,5,5-trimethylhexanoic acid, depending on the source of information)

(Hoechst, 1991; Hüls, 1995;Riemenschneider, 1986)

< –65 (technical-grade isononanoic acid containing approx. 97.5% 3,5,5-trimethylhexanoic acid) (ExxonMobil, 2001)

< –65 (technical-grade isononanoic acid containing 100% 3,5,5-trimethylhexanoicacid) (Deutsche Exxon, 1998; Exxon, 1998)

< –60 (technical-grade isononanoic acid containing primarily or approx. 90% 3,5,5-trimethylhexanoic acid, depending on the source of information) (Hoechst, 1985 a, b, 1988; Hüls, 1994; Riemenschneider, 1986;Celanese, 1999)

Boiling point, °C 228–241 (technical-grade isononanoic acid containing approx. 97.5 or 100% 3,5,5-trimethylhexanoic acid): 230–240 (at 1013 hPa, technical-grade

isononanoic acid containing ≥ 97.5% 3,5,5-trimethylhexanoic acid)

232–236 (technical-grade isononanoic acid containing primarily 3,5,5-trimethylhexanoic acid; no further details)(Falbe and Regitz, 1997)

233–245 (technical-grade isononanoic acid containing approx. 90% 3,5,5-trimethylhexanoic acid) (Riemenschneider, 1986) 235 (technical-grade isononanoic acid containing primarily 3,5,5-trimethylhexanoic acid; no further details)

240–255 (purity not specified)

Vapour pressure, hPa < 0.01 (at 20 °C; purity not specified)

0.04 (at 20 °C) and 2.6 (at 130 °C; technical-grade isononanoic acid containing ≥ 97.5% 3,5,5-trimethylhexanoic acid)

< 0.1 (at 20 °C; purity not specified)

< 0.1 (at 20 °C) and approx. 0.2 (at 50 °C; technical-grade isononanoic acid consisting of 3,5,5-trimethylhexanoic acid; purity not specified)

0.63 (at 50 °C) and 10.88 (at 100 °C; 100% 3,5,5-trimethylhexanoic acid)

In alkyd resins, drying agents for varnishes and oil paints, lubricating oil additives, stabilisers and plasticisers for PVC polymers, fungicides and basic materials for cosmetics.

Intermediate in the production of metal salts, acid chlorides, esters and other chemicals for numerous applications (3,5,5-trimethylhexanoic acid).

Isononanoic Acid Market: Region-wise Outlook

Based on region, the global isononanoic acid market can be divided into North America, Europe, Asia Pacific, Latin America, and Middle East & Africa. In terms of consumption, Asia Pacific held a major share of the global isononanoic acid market in 2017 and the trend is likely to continue during the forecast period also. The market in Asia Pacific is projected to register a significant growth rate during the forecast period. Rise in consumption of cosmetics and personal care products and rising preference for beauty products by people, especially in South Korea, Japan, and China, are major factors anticipated to fuel the demand for isononanoic acid in Asia Pacific in the next few years. China and India are expected to hold a major share of the Asia Pacific market for isononanoic acid during the forecast period. Europe and North America are anticipated to follow Asia Pacific between 2018 and 2026. The market in other regions such as Latin America and Middle East & Africa is anticipated to witness sluggish growth during the forecast period.

Isononanoic acid is a monofunctional carboxylic acid intermediate 

Coating and paint

Cosmetics and personal care

Metal working fluids

Lubricant

Plasticizer

Other

Coatings

i-Nonanoic acid is used as a monomer in the synthesis of alkyd resins for stoving enamels and two-component paints (primers and topcoats). 

It brings better yellowing performance in comparison to fatty acids.

Paint driers based on metal salts are also produced with i-nonanoic acid. 

Ingredient of Water-soluble metal working fluid, and coolant for meal working

 

Lubricants

i-Nonanoic acid is used in the production of polyolester synthetic lubricants

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-

CAS No. 3302-10-1; ISONONANOIC ACID; Chemical Name: 3,5,5-TRIMETHYLHEXANOIC ACID; tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure

tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure

Isononanoic acid is only sparingly soluble in water. The ECHA (European Chemicals Agency) classifies isononanoic acid as a dangerous material in CPA classifications, as it causes severe eye damage if exposed and causes skin irritation if swallowed. Isononanoic acid is primarily applied as a plasticizer in cosmetics and personal care products. It is used as a skin conditioning agent, cleansing agent, and emulsifying agent in surfactant formulations. It 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 isononanoic acid as a food additive and has added it to the list of synthetic flavoring. With this, it can now be added directly to food.

Isononanoic Acid Market: Overview

Based on application, the isononanoic acid market can be segmented into cosmetics & personal care, food additives, and bio-pesticides. The cosmetics & personal care segment held the leading market share in 2017, due to extensive usage of isononanoic acid in household and industrial detergents, soaps, face washes, spray washes, hypochlorite detergents/sanitizers, and dish wash liquids.

isononanic acid is used as a building block in several high-performance formulations. Examples for such formulations are synthetic refrigeration lubricants for air conditioners using more environmentally friendly refrigerant technologies to address sustaisononanic acidbility needs. Another example for the usage of isononanic acid are synthetic lubricants for the aviation industry. Furthermore, isononanic acid is used in many other applications such as pharma, cosmetics, agrochemicals and coatings.

Isononanoic acid Usage

This product is used as an intermediate in paints and coating driers for the production of esters as lubricants and plasticizers, as well as in the production of peroxides as polymerization catalysts.

What is the role of isononanoic acid in cutting fluids?

It acts as a solubilizing and solubilizing agent. It is mostly used in the cutting fluid of polyether and self-emulsified esters. It also acts as a lubricant and cleaning agent

"Isononanoic acid, a higher carboxylic acid, is a key ingredient in next-generation synthetic polyol ester-based lubricants for the refrigeration industry. Demand is driven by changes in new environmental regulations and heightened energy efficiency standards

Molecular Formula: C9H18O2

Molecular: Weight 158.2

3,5,5-Trimethylhexanoic Acid

EINECS No.: 221-975-0(3,5,5-Trimethylhexanoic Acid)

7-methyloctanoic acid

26896-18-4

693-19-6

Octanoic acid, 7-methyl-

7-methyl-octanoic acid

7-methyl caprylic acid

tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure

7-methylcaprylic acid

tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure

3,5,5-Trimethylhexanoic acid, 97%

Chemical Properties

Formula: C9H18O2

Formula Weight: 158.24

Melting point: -70°

Boiling Point: 230-232°

Flash Point: 125°(257°F)

Density: 0.910

Refractive Index: 1.4290

Storage & Sensitivity: Ambient temperatures.

Solubility: Miscible with the usual organic solvents.

Applications: 3,5,5-Trimethylhexanoic acid, is an important organic intermediate. It is also used as an an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Notes

Keep container tightly closed in a dry and well-ventilated place. Keep away from oxidizing agents. Stable under recommended storage conditions.

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-

7-METHYL OCTANOIC ACID; ISONONANOIC ACID; Methyloctanoicacid; Isononansaure; I-NONANOICACID; 7-methylcaprylic acid. Cas No. 26896-18-4. Molecular formula C9H18O2. Molecular weight 158.24.

Formulation of Isononanoic acid (for guidance only)

Triethanolamine(102-71-6 15): 30%

2-Propanol, 1-amino- (78-96-6 10):20%

Isononanoic acid (3302-10-1): 1-10%

1, 11 - Undecanedioic Acid (1852-04-6 1): 10%

Aminoisobutyl alcohol (124-68-5): 1-5%

Dodecanedioic acid (693-23-2): 1-5%