ChemicalBook--->CAS DataBase List--->112-05-0

112-05-0

112-05-0 Structure

112-05-0 Structure
IdentificationMore
[Name]

Nonanoic acid
[CAS]

112-05-0
[Synonyms]

AKOS 222-43
C9:0 FATTY ACID
C9 ACID
CARBOXYLIC ACID C9
FEMA 2784
GRANTRICO
N-NONANOIC ACID
N-NONYLIC ACID
NONANOIC ACID
NONOIC ACID
NONYLIC ACID
OCTANE-1-CARBOXYLIC ACID
PELARGONIC ACID
RARECHEM AL BO 0187
SCYTHE
1-nonanoic acid
1-Octanecarboxylic acid
1-octanecarboxylicacid
acidenonyliquenormal
acidepelargonique
[EINECS(EC#)]

203-931-2
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00004433
[Molecular Weight]

158.24
[MOL File]

112-05-0.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless or yellowish, combustible, oily liquid. Faint odor.
[Melting point ]

9 °C (lit.)
[Boiling point ]

268-269 °C (lit.)
[density ]

0.906 g/mL at 25 °C(lit.)
[vapor density ]

5.5 (vs air)
[vapor pressure ]

<0.1 mm Hg ( 20 °C)
[FEMA ]

2784
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

212 °F
[storage temp. ]

2-8°C
[solubility ]

0.3g/l
[form ]

Liquid
[pka]

4.96(at 25℃)
[color ]

Clear colorless
[Odor]

at 10.00 % in dipropylene glycol. waxy dirty cheese cultured dairy
[PH]

4.4 (0.1g/l, H2O, 25℃)
[explosive limit]

0.8-9%(V)
[Odor Type]

waxy
[Water Solubility ]

NEGLIGIBLE
[Usage]

Intermediates of Liquid Crystals
[JECFA Number]

102
[Merck ]

14,7070
[BRN ]

1752351
[Dielectric constant]

13.9(25℃)
[LogP]

3.4 at 25℃
[CAS DataBase Reference]

112-05-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Nonanoic acid(112-05-0)
[EPA Substance Registry System]

Nonanoic acid (112-05-0)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 3
[WGK Germany ]

1
[RTECS ]

RA6650000
[Autoignition Temperature]

405 °C
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29159080
[Safety Profile]

Poison by intravenous route. Moderately toxic by ingestion. A severe skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

112-05-0(Hazardous Substances Data)
[Toxicity]

LD50 i.v. in mice: 224±4.6 mg/kg (Or, Wretlind)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Malonic acid-->Oleic acid-->Potassium hydroxide solution-->1-OCTENE-->Ozone-->1-Nonanol-->1-Nonanal-->1-Bromoheptane-->LITMUS-->METHYLNONYLKETONE(SG)-->Oxygen-->Azelaic Acid Monoethyl Ester
[Preparation Products]

1-Nonanal-->10-Undecenal-->N-NONANOPHENONE-->Allyl Nonanoate-->Ethyl nonanoate-->FEMA 2078-->delta-Nonalactone-->Nonanamide, N-nonyl--->9-HYDROXYNONANOIC ACID-->1-AMINONONANE-->METHYL NONANOATE-->2-IODOOCTANE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Nonanoic acid(112-05-0).msds
Hazard InformationBack Directory
[Potential Exposure]

Pelargonic acid, a naturally occurring fatty acid herbicide/fungicide. It is used to control the growth of weeds and as a blossom thinner for apple and pear trees. It is also used as a food additive; as an ingredient in solutions used to commercially peel fruits and vegetables; in the manufacture of lacquers, plastics and pharmaceuticals.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions) if breathing has stopped, and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Do not induce vomiting when formulations containing petroleum solvents are ingested.
[Incompatibilities]

Heated vapors may form explosive mixture with air. May react violently with strong oxidizers, bromine, 90% hydrogen peroxide, phosphorus trichloride, silver powders or dust. Incompatible with strong bases and silver compounds; mixture with some silver compounds may form explosive salts of silver oxalate.
[Chemical Properties]

clear colorless liquid
[Chemical Properties]

Colorless or yellowish, combustible, oily liquid. Faint odor.
[Chemical Properties]

Nonanoic acid has a fatty, characteristic odor and a corresponding unpleasant taste. May be prepared by oxidation of methylnonyl ketone; by oxidation of oleic acid; or from heptyl iodide via malonic ester synthesis.
[Chemical Properties]

Nonanoic acid has a fatty, characteristic odor and a corresponding unpleasant taste. This compound is also reported as having a cheese, waxy flavor
[Waste Disposal]

Do not discharge into drains or sewers. Dispose of waste material as hazardous waste using a licensed disposal contractor to an approved landfill. Contact a licensed disposal facility about surplus and non-recyclable solutions. Burn in a chemical incinerator equipped with an afterburner and scrubber. Extra care must be exercised as the material in an organic solvent is highly flammable. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Incineration with effluent gas scrubbing is recommended. Containers must be disposed of properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.
[Originator]

Pellar,Crookes Barnes, US ,1960
[Occurrence]

Nonanoic acid is a fatty acid which occurs naturally as esters in the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings.
Nonanoic 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 nonanoic acid, ammonium nonanoate, is used as an herbicide.
[Uses]

In the production of hydrotropic salts (hydrotropic salts form aqueous solutions which dissolve sparingly soluble substances to a greater extent than water); in the manufacture of lacquers, plastics.
[Uses]

Intermediates of Liquid Crystals
[Uses]

The primary uses of this acid are in organic synthesis and in the manufacture of lacquers, plastics, pharmaceuticals, synthetic odors and flavorings, gasoline additives, flotation agents, lubricants, and vinyl plasticizers. Nonanoic acid has found some use in pharmaceutical preparations and as a topical bactericide and fungicide. It is also used in herbicides.
[Definition]

ChEBI: 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.
[Manufacturing Process]

A body of liquid, 18 inches high, comprising a 35% (by weight) solution of technical (95%) oleic acid in n-propanol, is maintained at a temperature of 86°C in a reactor. The solution also contains dissolved therein 0.042% by weight of cobalt, in the form of cobalt naphthenate. From the bottom of the reactor very fine bubbles of air are passed into and through the solution at the rate of about 0.3 cubic feet per minute, measured at standard conditions, per square foot for 72 hours. The gases leaving the reactor are first passed through an ice water reflux condenser and then vented to the atmosphere. At the end of the 72 hour period the reaction mixture is separated into its components. It is found that 60% of the oleic acid has been consumed in the reaction. For each pound of oleic acid consumed there are obtained 0.30 pound of azelaic acid (representing an efficiency of 46%, calculated on the basis that the technical oleic acid is 100% oleic acid), 0.13 pound of pelargonic acid (representing an efficiency of 23%) and 0.21 pound of 9,10dihydroxystearic acid (representing an efficiency of 19%).
[Therapeutic Function]

Fungicide
[Aroma threshold values]

Detection: 3 to 9 ppm
[Taste threshold values]

Taste characteristics at 10 ppm: fatty, waxy, and cheesy with a mild, sweet, creamy background
[Synthesis Reference(s)]

Journal of the American Chemical Society, 93, p. 195, 1971 DOI: 10.1021/ja00730a033
Organic Syntheses, Coll. Vol. 2, p. 474, 1943
Tetrahedron Letters, 9, p. 5689, 1968
[General Description]

Nonanoic acid occurs naturally in Pelargonium L′Her. It one of the flavor constituents of cooked rice, acerola fruit, licorice and yogurt.
[Agricultural Uses]

Herbicide, Fungicide: Pelargonic acid occurs naturally in many plants and animals. It is used to control the growth of weeds and as a blossom thinner for apple and pear trees. It is also used as a food additive; as an ingredient in solutions used to commercially peel fruits and vegetables
[Trade name]

CIRRASOL®-185A; ECONOSAN®; EMERY® 202 (mixture with n-octoic acid); EMFAC®-1202; HEXACID® C-9; PELARGON®; SCYTHE®; WEST AGRO ACID SANITIZER®
[Synthesis]

By oxidation of methylnonyl ketone; by oxidation of oleic acid; or from heptyl iodide via malonic ester synthesis
[Purification Methods]

Esterify the acid with ethylene glycol and distil the ester. (This removes dibasic acids as undistillable residues.) The acid is regenerated by hydrolysing the ester in the usual way and is distilled in vacuo. [Beilstein 2 IV 1018.]
Questions And AnswerBack Directory
[Description]

Nonanoic acid (also known as pelargonic acid; chemical formula: CH3 (CH2)7COOH) is a kind of organic carboxylic acid compound. It is naturally existed in the oil of pelargonium in the form of esters. It is commonly used in conjunction with glyphosate which is a kind of non-selective herbicide in order to obtain a quick burn-down effect in the control of weeds in turfgrass. It is also a potent antifungal agent which can inhibit spore germination and mycelial growth of pathogenic fungi. Its synthetic esters, such as methyl nonanoate can be used as flavorings. Moreover, it can also be used in the preparation of plasticizers and lacquers. It can also be potentially used for the treatment of seizures.
[References]

https://en.wikipedia.org/wiki/Nonanoic_acid
http://www.abcam.com/nonanoic-acid-pelargonic-acid-ab143891.html
Spectrum DetailBack Directory
[Spectrum Detail]

Nonanoic acid(112-05-0)MS
Nonanoic acid(112-05-0)1HNMR
Nonanoic acid(112-05-0)13CNMR
Nonanoic acid(112-05-0)IR1
Nonanoic acid(112-05-0)IR2
Nonanoic acid(112-05-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Nonanoic acid, tech., 90%(112-05-0)
[Alfa Aesar]

Nonanoic acid, 97%(112-05-0)
[Sigma Aldrich]

112-05-0(sigmaaldrich)
[TCI AMERICA]

Nonanoic Acid,>98.0%(GC)(T)(112-05-0)
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