ISONONANOIC ACID

ISONONANOIC ACID
 
CAS No.: 26896-18-4
EC No.: 221-975-0
 
Synonyms:
Isononansaure; I-NONANOICACID; ISONONANOIC ACID; Methyloctanoicacid; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; ISONONANOIC ACID; 7-methyloctanoic acid; 26896-18-4; 693-19-6; Octanoic acid, 7-methyl-; 7-methyl-octanoic acid; 7-methyl caprylic acid; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; isononanoique acide; acide nonanoic ; Acide nonanoïque; izononaikasitUNII-M3MIU88L6U; M3MIU88L6U; tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure; 7-methylcaprylic acid; SCHEMBL254102; CHEBI:37108; CTK1A2940; KS-00000ZZD; DTXSID10883129; ZINC2012819; LMFA01020003; AKOS006272652; MCULE-6934503036; NE48204; AS-56712; U877; LS-166122; FT-0621464; FT-0655830; NS00019580; A836428; Q27117040; Z1318357728; 7-METHYL OCTANOIC ACID; ISONONANOIC ACID; Methyloctanoicacid; Isononansaure; I-NONANOICACID; 7-methylcaprylic acid; 7-metil-3 OKTANOIK ASIT; ISONONANOIC ASIT; Methyloctanoicacid; Isononansaure; I-NONANOICACID; 7-methylcaprylic asit; Methyloctanoicacid; I-NONANOICACID; Isononansaure; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; Methyloctanoicacid; I-NONANOICACID; Isononansaure; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; Cekanoic 9acid; Cekanoic C-9 Acid; Isopelargonic 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]; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; Isononanoic acid; Isononanoic-Acid; QV1Y1&1X1&1&1 [WLN]; [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-; ISONONANOIC ACID; İZONONANOİK ASİT; acide pélargique; acide nonylique; acide pélargonique; İzononanoik Asit; isononanoic acid; 7-methyloctanoic acid; 26896-18-4; 693-19-67-methyl-octanoic acid; Octanoic acid, 7-methyl-; 7-methyl caprylic acid; Isononanoicacid; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; tert-isononanoic acid; isononanic acid; isopelargonic acid; iso-isononanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure; 7methylcaprylicacid; AC1L1PZH; SCHEMBL254102; CHEBI:37108; CTK1A2940; MolPort-006149; 173; XZOYHFBNQHPJRQ; UHFFFAOYSAN; ZINC2012819; LMFA01020003; SBB066022AKOS006272652; MCULE-6934503036; NE48204; RTR-013846; LP004398; U877; LS-166122; TR-013846; FT-0621464; FT-0655830; A836428; I041150; Z1318357728; 26896-18-4; 3,5,5,-trimethyl-; 3302-101; 3,5,5,trimethylhexanoicacid; 90960; TMHA; Isononansre; CEKANOICC9ACID; TIMTEC-BB SBB005782; RARECHEM AL BE 0197; 3,5,5 Trimethylhexan; TRIMETHYLHEXANOICACID; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; 3,5,-; Trimethylhexansaeure; 3,5,5-trimethyl-hexanoicaci; 3,5,5-Trimethlhexanoic acid; C9H18O2; 3,5,5-Trimethylhexanoic acid; isononanoic acid; 7-methyloctanoic acid; 26896-18-4; 693-19-6; 7-methyl-octanoic acid; Octanoic acid, 7-methyl-,7-methyl caprylic acid; Isononanoicacid; tert-isononanoic acid; isononanic acid; isopelargonic acid; iso-isononanoic acid; 7-Methyloctansaeure; 7Methyloctansaeure; 7methylcaprylicacid; AC1L1PZH; SCHEMBL254102; CHEBI:37108; CTK1A2940; MolPort006149173; XZOYHFBNQHPJRQUHFFFAOYSAN; ZINC2012819; LMFA01020003; SBB066022; AKOS006272652; MCULE-6934503036; NE48204; RTR-013846; LP004398; U877; LS-166122; TR-013846; FT-0621464; FT-0655830; A836428; I04-1150; Z1318357728; Isononansaure; I-NONANOICACID; isononanoic acid; Methyloctanoicacid; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID LITHOCHOLIC ACID ALPHA-HEDERIN; isononanoic acid; Isononansaure; I-NONANOICACID; ISONONANOIC ACID; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; Methyloctanoicacid; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; ISONONANOIC ACID; 7-methyloctanoic acid; 26896-18-4; 693-19-6; Octanoic acid, 7-methyl-; 7-methyl-octanoic acid; 7-methyl caprylic acid; UNII-M3MIU88L6U; M3MIU88L6U; tert-Nonanoic acid; Isononanoicacid; Isononansaure; isononanic acid; iso-nonanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure; 7-methylcaprylic acid; SCHEMBL254102; CHEBI:37108; CTK1A2940; KS-00000ZZD; DTXSID10883129; ZINC2012819; LMFA01020003; AKOS006272652; MCULE-6934503036; NE48204; AS-56712; U877; LS-166122; FT-0621464; FT-0655830; NS00019580; A836428; Q27117040; Z1318357728; 7-METHYL OCTANOIC ACID; ISONONANOIC ACID; Methyloctanoicacid; Isononansaure; I-NONANOICACID; 7-methylcaprylic acid; 7-metil-3 OKTANOIK ASIT; ISONONANOIC ASIT; Methyloctanoicacid; Isononansaure; I-NONANOICACID; 7-methylcaprylic asit; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; Methyloctanoicacid; I-NONANOICACID; Isononansaure; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; Methyloctanoicacid; I-NONANOICACID; Isononansaure; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID; Cekanoic 9acid; Cekanoic C-9 Acid; Isopelargonic 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; QV1Y1&1X1&1&1 [WLN]; [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-; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; ISONONANOIC ACID; İZONONANOİK ASİT; acide pélargique; acide nonylique; acide pélargonique; İzononanoik Asit; isononanoic acid; 7-methyloctanoic acid; 26896-18-4; 693-19-67-methyl-octanoic acid; Octanoic acid, 7-methyl-; 7-methyl caprylic acid; Isononanoicacid; tert-isononanoic acid; isononanic acid; isopelargonic acid; iso-isononanoic acid; 7-Methyloctansaeure; 7-Methyl-octansaeure; 7methylcaprylicacid; AC1L1PZH; SCHEMBL254102; CHEBI:37108; CTK1A2940; MolPort-006149; 173; XZOYHFBNQHPJRQ; UHFFFAOYSAN; ZINC2012819; LMFA01020003; SBB066022AKOS006272652; MCULE-6934503036; NE48204; RTR-013846; LP004398; U877; LS-166122; TR-013846; FT-0621464; FT-0655830; A836428; I041150; Z1318357728; 26896-18-4; 3,5,5,-trimethyl-; 3302-101; 3,5,5,trimethylhexanoicacid; 90960; TMHA; Isononansre; CEKANOICC9ACID; TIMTEC-BB SBB005782; RARECHEM AL BE 0197; 3,5,5 Trimethylhexan; TRIMETHYLHEXANOICACID; 3,5,-; Trimethylhexansaeure; 3,5,5-trimethyl-hexanoicaci; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; 3,5,5-Trimethlhexanoic acid; C9H18O2; 3,5,5-Trimethylhexanoic acid; isononanoic acid; 7-methyloctanoic acid; 26896-18-4; 693-19-6; 7-methyl-octanoic acid; Octanoic acid, 7-methyl-,7-methyl caprylic acid; Isononanoicacid; tert-isononanoic acid; isononanic acid; isopelargonic acid; iso-isononanoic acid; 7-Methyloctansaeure; 7Methyloctansaeure; 7methylcaprylicacid; AC1L1PZH; SCHEMBL254102; CHEBI:37108; CTK1A2940; MolPort006149173; XZOYHFBNQHPJRQUHFFFAOYSAN; ZINC2012819; LMFA01020003; SBB066022; AKOS006272652; MCULE-6934503036; NE48204; RTR-013846; LP004398; U877; izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside; LS-166122; TR-013846; FT-0621464; FT-0655830; A836428; I04-1150; Z1318357728; Isononansaure; I-NONANOICACID; isononanoic acid; Methyloctanoicacid; 7-methylcaprylic acid; 7-METHYL OCTANOIC ACID LITHOCHOLIC ACID ALPHA-HEDERIN; isononanoic acid;  izononaikasit; izononaiksit; İZONONANOIK ASIT; İZONONANOIKASIT; İZONONAİK ASİT; İZONONAIK ASIT; isononanoic acid; ISONONANOICACID; izo nonanoik asit; izononanoic asid; isononanoic aside

ISONONANOIC ACID
 
isononanoic acid is a mixture of
isomers with a 3,5,5-trimethyl
hexanoic 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.
isononanoic acid is available from OXEA in the
following packages:
• High Density Polyethylene 220 Liter Drum
isononanoic acid
isononanoic acid, also called pelargonic acid, is an organic compound with structural formula CH3(CH2)7CO2H. It is a nine-carbon fatty acid. isononanoic acid is a colorless oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but very soluble in organic solvents. The esters and salts of isononanoic acid are called nonanoates.
 
Its refractive index is 1.4322. Its critical point is at 712 K (439 °C) and 2.35 MPa.

Preparation, occurrence, and uses
isononanoic acid occurs naturally as esters in the oil of pelargonium. Together with azelaic acid, it is produced industrially by ozonolysis of oleic acid.[2]
 
Synthetic esters of isononanoic acid, such as methyl nonanoate, are used as flavorings. isononanoic acid is also used in the preparation of plasticizers and lacquers. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays. The ammonium salt of isononanoic acid, ammonium nonanoate, is an herbicide. It is commonly used in conjunction with glyphosate, a non-selective herbicide, for a quick burn-down effect in the control of weeds in turfgrass.

Pharmacological effects
isononanoic acid may be more potent than valproic acid in treating seizures. Moreover, in contrast to valproic acid, isononanoic acid exhibited no effect on HDAC inhibition, suggesting that it is unlikely to show HDAC inhibition-related teratogenicity.
isononanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. The ammonium salt form of isononanoic acid is used as an herbicide. It works by stripping the waxy cuticle of the plant, causing cell disruption, cell leakage, and death by desiccation.
 
NCI Thesaurus (NCIt)
isononanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.

ChEBI
Pelargonic acid, or isononanoic acid, is a fatty acid which occurs naturally as esters is the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Pelargonic acid is an organic compound composed of a nine-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but well soluble in chloroform and ether. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays.
Names and Identifiers of isononanoic acid
 
Computed Descriptors of isononanoic acid 
IUPAC Name
7-methyloctanoic acid of isononanoic acid
InChI Key of isononanoic acid
XZOYHFBNQHPJRQ-UHFFFAOYSA-N
Canonical SMILES of isononanoic acid
CC(C)CCCCCC(=O)O
Molecular Formula of isononanoic acid
C9H18O2
EC Number of isononanoic acid
248-092-3
Chemical and Physical Properties of isononanoic acid
Intermediate for metal soap, plasticizer, detergent, alkyd resin, acid chloride and cosmetics. 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. Isononanoıc acid is an important organic intermediate. Isononanoıc acid is also used as an an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuf.

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.
Metal soaps, Lubricants, Surfactants, Alkyd resins, Acid chlorides, Cosmetics, Corrosion Inhibitor
isononanoic acid is a mixture of isomers with a 3,5,5-trimethyl hexanoic 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. 
STORAGE; 
Tighten the cap of container and store in a cool , dry , well-ventilated , storage area of
cabinet.

Emergency and First Aid Procedure of isononanoic acid:
1)Skin Contact of isononanoic acid: Remove contaminated clothing. Wash the affected area with plenty of
clean water and soap. If irritation develops, see a physician.
2)Eye Contact of isononanoic acid: Flash eyes with plenty of clean water for at least 15 minutes while
holding eyelids open. If irritation develops , see a physician. 
3)Inhalation of isononanoic acid: If a large amount is inhaled , remove individual(s) to fresh air.
 
Where is isononanoic acid Found?
isononanoic acid is not pure or used alone. This substance is mainly mixed with other ingredients to help fix it to plants. It is present in some herbicides, even if it is not currently authorized everywhere or available to everyone.
isononanoic acid names and identifiers
 
Calculated identifiers of isononanoic acid
IUPAC Name
7-methyloctanoic acid, isononanoic acid
InChI Switch of isononanoic acid
UHFFFAOYS XZOYHFBNQHPJRQ-A-N-
Canonical SMILES of isononanoic acid
CC (C), CCCCCC (= O) O
Molecular formula of isononanoic acid
C9H18O2
EC isononanoic acid number
248-092-3
Chemical and physical properties of isononanoic acid

Calculated properties of isononanoic acid
Feature Name
Molecular Weight of isononanoic acid: 158.241 g / mol
Number of Donor Hydrogen Bonding of isononanoic acid: 1
Hydrogen Bonding Receptors of isononanoic acid: 2
Rotatable Bond Count of isononanoic acid: 6
Complexity of isononanoic acid: 108
Topological Polar Surface Area: 37.3 A ^ 2
Monoisotopic Mass: 158.131 g / mol
Full Mass of isononanoic acid: 158,131 g / mol
XLogP3: 3.3
Compound Canonicalized: true
Uploading Image: 0
Heavy Atomic Number: 11
Defined Atomic Stereocenter Number: 0
Undefined Atom Stereocenter Number: 0
Number of Bonded Stereocenter of isononanoic acid: 0
Undefined Bond Stereocenter Number of isononanoic acid: 0
Isotope Atomic Number of isononanoic acid: 0
Number of Covalent Bound Units of isononanoic acid: 1
 
Intermediates for metal soap, plasticizer, detergent, alkyd resin, acid chloride and cosmetics. isononanoic acid esters are used as base stocks and plasticizers for synthetic lubricants and metalworking fluids. isononanoic acid salts are used as paint dryers and polyvinyl chloride stabilizers. isononanoic acid peroxides are used as polymerization catalysts. isononanoic acid is an important organic intermediate. isononanoic acid is also used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, pesticides and dyes.

isononanoic acid is an important organic intermediate. It is also used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyes.

isononanoic acid; Metal soaps, lubricants, surfactants, alkyd resins, acid chlorides, cosmetics, corrosion inhibitor.
 
isononanoic acid is a mixture of isomers having a 3,5,5-trimethyl hexanoic acid content of about 90, and is obtained by oxidation of the corresponding isononyl aldehyde.
The clear, colorless liquid with a faint odor can be mixed with normal organic solvents. isononanoic acid is slightly soluble in water.
Storage of isononanoic acid;
Tighten the lid of the container and place it in a cool, dry and well-ventilated storage area.
cabinet.

Emergency and First Aid Procedure of isononanoic acid:
1) isononanoic acid Skin Contact: Remove contaminated clothing. Plenty of affected area
Clean water and soap. If irritation develops, see a doctor.
2) Eye Contact of isononanoic acid: Eye wash with plenty of water for at least 15 minutes.
Keeping the eyelids open. If irritation develops, see a doctor.
3) Inhalation of isononanoic acid: If inhaled in large quantities, remove the individual to fresh air.

Isononanoic Acid
Isononanoic Acid is a colorless, high boiling liquid. It`s used as Neopolyol esters applied as lubricants, intermediate for metal salt, PVC plasticizer, detergent, alkyd resin acid chloride. It`s similar with 3,5,5-trimethylhexanoic acid(CAS: 3302-10-1), but not totally the same in few applications. Check out with us to learn more.
 
Lubricants
Metal fluid additives
Synthetic lubricants
Coating / paint driers
PVC stabilizers
PUR catalysts
Corrosion inhibition in coolants
Chemical Name    Isononanoic acid
CAS No.    26896-18-4
Molecular Formula    C9H18O2
Molecular Weight    158.2
Appearance    Clear transparent liquid
Purity    99% (min)
 
Pharmacological effects
isononanoic acid may be more potent than valproic acid in treating seizures. Moreover, in contrast to valproic acid, isononanoic acid exhibited no effect on HDAC inhibition, suggesting that it is unlikely to show HDAC inhibition-related teratogenicity.
isononanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. The ammonium salt form of isononanoic acid is used as an herbicide. It works by stripping the waxy cuticle of the plant, causing cell disruption, cell leakage, and death by desiccation.

Preparation, occurrence, and uses
isononanoic acid occurs naturally as esters in the oil of pelargonium. Together with azelaic acid, it is produced industrially by ozonolysis of oleic acid.[2]
 
Synthetic esters of isononanoic acid, such as methyl nonanoate, are used as flavorings. isononanoic acid is also used in the preparation of plasticizers and lacquers. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays. The ammonium salt of isononanoic acid, ammonium nonanoate, is an herbicide. It is commonly used in conjunction with glyphosate, a non-selective herbicide, for a quick burn-down effect in the control of weeds in turfgrass.