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CAS: 112-05-0
MDL Number: MFCD00004433
Beilstein: 02, 352
PubChem CID: 8158
Formula Weight: 158.24
Pelargonic acid, also called nonanoic acid, is an organic compound with structural formula CH3(CH2)7CO2H.
Pelargonic acid is a nine-carbon fatty acid. Nonanoic acid is a colorless oily liquid with an unpleasant, rancid odor.
Pelargonic acid is nearly insoluble in water, but very soluble in organic solvents.
The esters and salts of pelargonic acid are called pelargonates or nonanoates.
Pelargonic acid is named after the pelargonium plant, since oil from its leaves contains esters of the acid.
Pelargonic acid is a naturally-occurring saturated fatty acid with nine carbon atoms.
The ammonium salt form of Pelargonic acid is used as an herbicide.
Pelargonic acid works by stripping the waxy cuticle of the plant, causing cell disruption, cell leakage, and death by desiccation.
Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium.
Pelargonic acid has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite.
Pelargonic acid is a straight-chain saturated fatty acid and a medium-chain fatty acid.
Pelargonic acid is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.
Pelargonic acid is a natural product found in Staphisagria macrosperma, Rhododendron mucronulatum, and other organisms with data available.
Pelargonic acid also known as nonanoic acid and available commercially from Acme-Hardesty as Matrilox IP001M — is a monocarboxylic fatty acid with a variety of applications across several industries.
Pelargonic acid is a long-chain fatty acid with a chemical structure of CH3(CH2)7COOH.
Though this acid is naturally occurring in many fruits, vegetables and meat and dairy products, the chemical was originally derived by extracting esters from the naturally-occurring oil of pelargonium plants, resulting in the name.
Today, the acid is produced using a variety of methods, bringing pelargonic acid prices to a sustainable level
Pelargonic acid (also called as nonanoic acid), a naturally found in a variety of plants and food products is a cosmetic ingredient, that function as skin-conditioning agent.
The Food and Drug Administration (FDA) has approved pelargonic acid as a food additive, and as an ingredient in solutions used commercially to peel fruits and vegetables.
FDA considers it safe for humans to eat food containing small amounts of pelargonic acid.
Chemical Identifiers of Pelargonic acid
CAS: 112-05-0
Molecular Formula: C9H18O2
Molecular Weight (g/mol): 158.24
MDL Number: MFCD00004433
InChI Key: FBUKVWPVBMHYJY-UHFFFAOYSA-N
PubChem CID: 8158
ChEBI: CHEBI:29019
IUPAC Name: nonanoic acid
Specifications of Pelargonic acid
CAS Max %: 100.0
Color: Colorless
Boiling Point: 254.0°C
Assay Percent Range: 96% min. (GC)
Infrared Spectrum: Authentic
Refractive Index: 1.4299 to 1.4339
Specific Gravity: 0.9
Molecular Weight (g/mol): 158.24
ChEBI
CHEBI:29019
Physical Form: Liquid
Chemical Name or Material: n-Nonanoic acid
CAS Min %: 96.0
Density: 0.9000g/mL
Melting Point: 12.5°C
Flash Point: 114°C
Molecular Formula: C9H18O2
Linear Formula: CH3(CH2)7CO2H
Packaging: Glass bottle
Merck Index: 15, 7179
Quantity: 100g
Solubility Information: Solubility in water: negligible.
Other solubilities: soluble in alcohol, chloroform and ether, soluble in most other commmon organic solvents
InChI Key: FBUKVWPVBMHYJY-UHFFFAOYSA-N
IUPAC Name: nonanoic acid
Percent Purity: 97%
Physical Properties of Pelargonic acid:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 96.00 to 100.00 %
Food Chemicals Codex Listed: No
Specific Gravity: 0.90000 to 0.92000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.489 to 7.655
Refractive Index: 1.42500 to 1.43500 @ 20.00 °C.
Melting Point: 12.00 to 14.00 °C. @ 760.00 mm Hg
Boiling Point: 254.00 to 256.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.009000 mmHg @ 25.00 °C. (est)
Vapor Density: 5.4 ( Air = 1 )
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 3.420
What Is Pelargonic acid?
Pelargonic Acid, also called nonanoic acid, is a fatty acid with nine carbons.
Pelargonic acid also has nine carbons but at least one single carbon branch.
Preparation of Pelargonic acid
Together with azelaic acid, it is produced industrially by ozonolysis of oleic acid.
Identifiers of Pelargonic acid
CAS Number: 112-05-0
Beilstein Reference: 1752351
CHEBI:29019
ChemSpider: 7866
ECHA InfoCard: 100.003.574
EC Number: 203-931-2
Gmelin Reference: 185341
KEGG: C01601
PubChem CID: 8158
UNII: 97SEH7577T
Properties of Pelargonic acid
Chemical formula: C9H18O2
Molar mass: 158.241 g/mol
Appearance: Clear to yellowish oily liquid
Density: 0.900 g/cm3
Melting point: 12.5 °C (54.5 °F; 285.6 K)
Boiling point: 254 °C (489 °F; 527 K)
Critical point (T, P): 439 °C (712 K), 2.35 MPa
Solubility in water: 0.3 g/L
Acidity (pKa) : 4.96
Occurrence, and uses of Pelargonic acid
Pelargonic acid occurs naturally as esters in the oil of pelargonium.
Synthetic esters of pelargonic acid, such as methyl pelargonate, are used as flavorings.
Pelargonic 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 pelargonic acid, ammonium pelargonate, is a herbicide.
Pelargonic acid is commonly used in conjunction with glyphosate, a non-selective herbicide, for a quick burn-down effect in the control of weeds in turfgrass.
The methyl form and ethylene glycol pelargonate act as nematicides against Meloidogyne javanica on Solanum lycopersicum, and the methyl against Heterodera glycines and M. incognita on Glycine max.
Esters of pelargonic acid are precursors to lubricants.
Pharmacological effects of Pelargonic acid
Pelargonic acid may be more potent than valproic acid in treating seizures.
Moreover, in contrast to valproic acid, pelargonic acid exhibited no effect on HDAC inhibition, suggesting that it is unlikely to show HDAC inhibition-related teratogenicity.
Computed Properties
Molecular Weight: 158.24
XLogP3: 3.5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 7
Exact Mass: 158.130679813
Monoisotopic Mass: 158.130679813
Topological Polar Surface Are: 37.3 Ų
Heavy Atom Count: 11
Formal Charge: 0
Complexity: 99.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Summary of Pelargonic acid
Pelargonic acid is present in many plants.
Pelargonic acid is used as an herbicide to prevent growth of weeds both
indoors and outdoors, and as a blossom thinner for apple and pear trees.
The U.S. Food and Drug Administration (FDA) has approved this substance for use in food.
No risks to humans or the environment are expected when pesticide products containing pelargonic acid are used according to the label directions.
Pelargonic acid is a chemical substance that is found in almost all species of animals and plants.
Because it contains nine carbon atoms, it is also called nonanoic acid.
Pelargonic acid is found at low levels in many of the common foods we eat.
Pelargonic acid is readily broken down in the environment.
Use Sites, Target Pests, And Application Methods of Pelargonic acid
Pelargonic acid has two distinct uses related to plants: weed killer and blossom thinner.
Assessing Risks to Human Health of Pelargonic acid
Pelargonic acid occurs naturally in many plants, including food plants, so most people are regularly exposed to small amounts of this chemical.
The use of pelargonic acid as an herbicide or blossom thinner on food crops is not expected to increase human exposure or risk.
Furthermore, tests indicate that ingesting or inhaling pelargonic acid in small amounts has no known toxic effects. Pelargonic acid is a skin and eye irritant, and product labels describe precautions that users should follow to prevent the products from getting in their eyes or on their skin
Pelargonic acid, also known as nonanoic acid, occurs naturally in many animals and plants, including geranium (Pelargonium spp.).
Commercially, however, pelargonic acid is manufactured using a synthetic process; to produce the active ingredient, various sources of fats and oils are reacted with ozone, and are then separated by fractional distillation.
The ozonation step renders the product synthetic, which makes the material ineligible for use in organic agriculture under USDA organic standards.
Pelargonic acid is also not permitted as an herbicidal soap.
Soaps are defined as alkali salts of fatty acids, and while pelargonic acid is a fatty acid, it is not an alkali salt of a fatty acid.
One can react pelargonic acid with potassium hydroxide to create potassium pelargonate (an alkali salt).
However, pelargonic acid by itself does not possess the properties of a soap.
GENERAL INFORMATION of Pelargonic acid
Description: Plant-derived substance with multiple uses including general weed control, fruit thinning in orchards and vineyards, as a potato post-harvest desiccant, and for clearing woody weeds from paths etc.
Example applications
Efficacy & activity: Efficiacy established via field trials and extensive use.
Appearance and life cycle
Availability status: Current
Pelargonic Acid
Pelargonic acid derives unique performance characteristics from its odd-chain length – providing definite advantages in many quality and performance sensitive applications over other short-chain fatty acids.
Potential differentiations include significantly different solubility characteristics, lower-temperature fluidity and low melting points.
The sodium and potassium salts of Pelargonic acid are very soluble in water but are insoluble in most organic solvents.
Most other metal salts are insoluble in water.
Amine salts and condensates prepared by reacting pelargonic acid with low molecular weight amines such as monoethanolamine or isopropanolamine are characterized with good water solubility.
These chemistries provide a multitude of potential benefits including improved corrosion inhibition and lower foaming characteristics.
The linear, highly saturated and odd-carbon structure of pelargonic acid makes it particularly suitable as the major acid component in TMP (trimethylolpropane), PE (pentaerythritol) and NPG (neopentyl glycol) polyol esters for lubricant base stocks.
These classic polyol structures dominate jet engine lubricant technology and are becoming more important in synthetic lubricants for industrial and land transportation applications.
Pelargonic acid (nonanoic acid) is a monocarboxylic acid.
The product appears as a transparent and colourless liquid, and is available in different purity grades.
Pelargonic acid, thanks to its favourable ecotoxicological profile, is used in the formulations of new herbicides, replacing existing synthetic ones.
The non persistence and ultimate biodegradability of natural pelargonic acid herbicides means that their impact on the environment is minimal.
They do not interfere with biodiversity and have no residual effects and can be used for soil cleaning even immediately before sowing or transplanting.
Pelargonic acid is also used in cleaning products as a precursor to peroxynonanoic acid.
Pelargonic acid are known for their antimicrobial activity (sanitisation, disinfection and sterilisation) and as bleaching agents.
Pelargonic acid has thus found a further destination in industrial detergents, water treatments and the control of microbial activity in public spaces.
Some esters of pelargonic acid are used as intermediates in the synthesis of biolubricants and emollients for the cosmetics industry.
STATUS: ISO 765 (published)
IUPAC PIN: nonanoic acid
IUPAC NAME: nonanoic acid
CAS NAME: nonanoic acid
CAS REG. NO.: 112-05-0
FORMULA: C9H18O2
ACTIVITY: herbicides (aliphatic acid)
NOTES: This substance is considered by the International Organization for Standardization not to require a common name.
Purity: > 99%
CAS Number: 112-05-0
Formula: C9 H18 O2
Mass: 158.24
IUPAC name: nonanoic acid
Product number: 10-0900
CAS number: 112-05-0
Product information of Pelargonic acid
Documentation: Certificate of Analysis
Purity: >99%
Storage: Room temperature
Supplied as: Neat
Molecular formula: C9H18O2
Molecular weight: 158.23801
Physical state: Liquid
Lipid number: C9:0
Other DBs
CAS: 112-05-0
PubChem: 4755
ChEBI: 29019
LIPIDMAPS: LMFA01010009
KNApSAcK: C00030829
PDB-CCD: KNA[PDBj]
3DMET: B01467
NIKKAJI: J1.991G
Chemical Properties of Pelargonic acid
Formula: CH3(CH2)7CO2H
Formula Weight: 158.24
Melting point: 10-12°
Boiling Point: 253-255°
Flash Point: 140°(284°F)
Density: 0.905
Refractive Index: 1.4315
Storage & Sensitivity
Ambient temperatures.
Solubility
Soluble in water at 20°C,0.26g/L.
Soluble in alcohol and dipropylene glycol.
Applications of Pelargonic acid
Pelargonic acid is used in the preparation of plasticizers and lacquers.
Pelargonic acid is commonly used in conjunction with glyphosate, for a quick burn-down effect in the control of weeds in turfgrass.
Notes
Store away from oxidizing agents and bases.
Keep the container tightly closed and place it in a cool, dry and well ventilated condition.
Description of Pelargonic acid
Pelargonic acid is a naturally-occurring saturated fatty acid with nine carbon atoms.
Pelargonic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2.
In Vitro
Nonanoic acid upregulates endogenous host defense peptides to enhance intestinal epithelial immunological barrier function via histone deacetylase inhibition.
MCE has not independently confirmed the accuracy of these methods.
They are for reference only.
Molecular Weight: 158.24
Formula: C9H18O2
CAS No.: 112-05-0
SMILES: O=C(CCCCCCCC)O
Structure Classification
Ketones, Aldehydes, Acids
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
Pure form: -20°C 3 years
4°C 2 years
In solvent: -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro:
DMSO : ≥ 100 mg/mL (631.95 mM)
Technical Information of Pelargonic acid
CAS Number: 1731-84-6
Molecular Formula: C10H20O2
Formula Weight: 172.3
Purity: ≥98%
A solution in ethanol
Solubility of Pelargonic acid
DMF: 10 mg/ml
DMSO: 10 mg/ml
Ethanol: 10 mg/ml
PBS (pH 7.2): 0.1 mg/ml
SMILES
O=C(CCCCCCCC)OC
InChi Code
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChi Key: IJXHLVMUNBOGRR-UHFFFAOYSA-N
Shipping & Storage Information
Storage: -20°C
Shipping
Room Temperature in continental US; may vary elsewhere
Stability: ≥ 1 year
PRODUCT SPECIFICATIONS
MOLECULAR WEIGHT: 158.24
APPEARANCE: Clear or Yellowish, oily liquid
DENSITY: 0.904 g/cm3
ASSAY: 90% MIN.
BOILING POINT: 230 - 237 °C
MELTING POINT: 13 °C (Pour point)
FLASH POINT: 141 °C
ODOR: Weak fatty acid
ACID VALUE: 345 - 355
COLOR (GARDNER): 1 MAX.
IODINE VALUE: 0.5 MAX.
TITER: 6 - 13 °C
CLASS: Fractionated Fatty Acids
CAS: 112-05-0
Grade
for synthesis
Mol. Formula: CH3(CH2)7COOH
HSN Code: 29159090
Purity: 97%
Mol. Weight: 158.24
Packing: Bottle / Drum
GST Tax Rate: 18%
Formula: C₉H₁₈O₂
MW: 158.24 g/mol
Boiling Pt: 253…255 °C
Melting Pt: 10…12 °C
Density: 0.905
Flash Pt: 140 °C (284 °F)
Storage Temperature: Ambient
MDL Number: MFCD00004433
CAS Number: 112-05-0
EINECS: 203-931-2
UN: 3265
ADR: 8,III
Merck Index: 12,07198
Common Name: Pelargonic acid
Description of Pelargonic acid
Pelargonic acid, or nonanoic 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.
Pelargonic acid is an oily liquid with an unpleasant, rancid odor.
Pelargonic acid is nearly insoluble in water, but well soluble in chloroform and ether.
The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays.
Product Description of Pelargonic acid
Catalogue Number: N649375
Chemical Name: Nonanoyl Chloride
CAS Number: 764-85-2
Molecular Formula: C9H17ClO
Appearance: Colourless Oil
Melting Point: N/A
Molecular Weight: 176.68
Storage: Refrigerator, Under Inert Atmosphere
Solubility: Chloroform
Category: Building Blocks; Miscellaneous;
Applications:
Pelargonic acid is used in the synthesis of immunosuppressants involving 2-aminoethanols and aminopropane-1,2-diols.
Also used in the synthesis of Vanilloids with antinociceptive and antiinflammatory compounds.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
Alternative Name: Pelargonic acid
CAS Number: 112-05-0
Formula: C9-H18-O2
Major Category
Other Classes
Nonanoic acid formula graphical representation
Category: Organic Acids
Description
Colorless or yellowish liquid; mp = 12.5 deg
Sources/Uses of Pelargonic acid
Naturally occurs as an ester in oil of pelargonium.
Found in several essential oils; Used in lacquers, pharmaceuticals, plastics, and in esters for turbojet lubricants.
Also used as a flavor and fragrance, flotation agent, gasoline additive, herbicide, blossom thinner for apple and pear trees, sanitizer, and to peel fruits and vegetables.
Used to make peroxides and greases, as a catalyst for alkyd resins, in insect attractants, and as a topical bactericide and fungicide medication.
Category of C7-C9 aliphatic aldehydes and carboxylic acids
Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposures toxicity in repeated-dose studies only at relatively high levels; no evidence of reproductive toxicity, developmental toxicity, or mutagenicity
Highly irritating
A strong skin irritant
A skin and eye irritant
May cause permanent eye damage, including blindness .
Safe when used as a flavoring agent in food.
A corrosive substance that can cause injury to the skin, eyes, and respiratory tract.
Pelargonic acid is a product of natural origin, the active ingredient is a saturated fatty acid, whose aliphatic chain is 9 carbon atoms, in fact Pelargonic acid is also known as, “nonanoic acid”.
Pelargonic acid is a substance extracted through physical methods from mainly plant sources: brassicaceae, sunflower seeds and cardoon.
Pelargonic acid can also be of animal origin, the sources of extraction can be different, for example, whale fat.
The most well-known field of the use of pelargonic acid is that of weeding, both agricultural and extra-agricultural.
Pelargonic acid, commonly known as nonanoic acid, is a carboxylic acid chemical that is found in nature.
Pelargonic acid can be found in the form of esters in the oil of pelargonium.
Pelargonic acid is a nine-carbon fatty acid and an organic molecule with the structural formula CH3(CH2)7CO2H.
Pelargonic acid is a nine-carbon saturated fatty acid that occurs naturally.
Herbicides are made from the ammonium salt version of nonanoic acid.
Pelargonic acid acts by removing the plant’s waxy cuticle, producing cell disruption, cell leakage, and desiccation death.
Pelargonic acid (Nonanoic Acid) is an oily, colorless liquid with a rotten odor.
In water,Pelargonic acid is practically insoluble, but it’s extremely soluble in organic solvents.
Pelargonic acid is frequently used in combination with glyphosate, a non-selective herbicide, to achieve a fast burn-down effect in the suppression of weeds in turfgrass.
Pelargonic acid is also an effective antifungal agent, inhibiting pathogenic fungi’s spore germination and mycelial growth.
Flavorings can be made from its synthetic esters, such as methyl nonanoate.
Synonyms of Pelargonic acid
NONANOIC ACID
Pelargonic acid
112-05-0
n-Nonanoic acid
Nonoic acid
Nonylic acid
Pelargic acid
n-Nonylic acid
n-Nonoic acid
1-Octanecarboxylic acid
Pelargon
Nonanoate
Cirrasol 185A
Hexacid C-9
Emfac 1202
1-nonanoic acid
Fatty acids, C8-10
Nonansaeure
Pelargonsaeure
pergonic acid
Fatty acids, C6-12
68937-75-7
MFCD00004433
nonoate
NSC 62787
Nonanoic Acid Anion
UNII-97SEH7577T
CHEBI:29019
CH3-[CH2]7-COOH
97SEH7577T
pergonate
n-nonanoate
1-nonanoate
C9:0
octan-1 carboxylic acid
1-octanecarboxylate
DSSTox_CID_1641
DSSTox_RID_76255
DSSTox_GSID_21641
Pelargon [Russian]
1-Octanecarboxyic acid
CAS-112-05-0
FEMA No. 2784
HSDB 5554
EPA Pesticide Chemical Code 217500
BRN 1752351
n-Pelargonate
AI3-04164
n-Nonylate
n-Nonoate
n-pelargonic acid
KNA
EINECS 273-086-2
Acid C9
Caprylic-Capric Acid
Nonanoic acid, 96%
3sz1
Caprylic / capric acid
Emery's L-114
Pelargonic Acid 1202
Emery 1202
Emery 1203
octane-1-carboxylic acid
Nonanoic acid, >=97%
bmse000499
EC 203-931-2
EC 273-086-2
Caprylic-Capric Acid 658
WLN: QV8
NCIOpen2_000142
NCIOpen2_000179
NCIOpen2_001763
NCIOpen2_002882
NCIOpen2_003483
SCHEMBL21966
Emery 1202 (Salt/Mix)
4-02-00-01018 (Beilstein Handbook Reference)
MLS001066339
CHEMBL108436
Nonanoic acid, >=96%, FG
QSPL 030
DTXSID3021641
HMS2269L08
Nonanoic acid, analytical standard
HY-N7057
Nonanoic acid, natural, 98%, FG
NSC62787
ZINC1529234
Tox21_202426
Tox21_300022
BBL027459
BDBM50556776
LMFA01010009
NSC-62787
s4949
STL372710
AKOS000118981
NONANOIC ACID MFC9 H18 O2
CCG-231471
MCULE-4736597375
NCGC00164328-01
NCGC00164328-02
NCGC00164328-03
NCGC00253958-01
NCGC00259975-01
BP-27910
SMR000112203
VS-08541
CS-0076036
FT-0660055
N0288
P0952
C01601
A802476
Q369777
Q-201488
F0001-2447
Z1258948135
F57B4D17-8824-403B-AE1B-FA425608BB39
