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nonanoic acid

Chemical Structure

General Material Information

Preferred name nonanoic acid
Trivial Name Nonanoic acid
Short Description pelargonic acid
Formula C9 H18 O2
CAS Number 112-05-0
FEMA Number 2784
Flavis Number 8.029
ECHA Number 203-931-2
FDA UNII 97SEH7577T
Nikkaji Number J1.991G
Beilstein Number 1752351
MDL MFCD00004433
COE Number 29
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 102 nonanoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 112-05-0 ; NONANOIC ACID
Synonyms
  • 1-nonanoic acid
  • N- nonanoic acid
  • nonanoic acid natural
  • nonoic acid
  • N- nonoic acid
  • nonylic acid
  • N- nonylic acid
  • 1-octane carboxylic acid
  • pelargic acid
  • pelargonic acid
  • n-Nonoic acid
  • 1-Octanecarboxylic acid
  • n-Nonylic acid
  • n-Nonanoic acid
  • n-Pelargonic acid
  • Grantrico
  • NSC 62787
  • NSC 65450
  • NSC 65455
  • Emery 1203
  • Thinex
  • Emerion W 90PA
  • Emery 1202
  • Prifrac 2914
  • Herbatak Ultra
  • Katoun Gold
  • PLA 500EC

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

nonanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:112-05-0
Pubchem (cid):8158
Pubchem (sid):134975523
Flavornet:112-05-0
Pherobase:View
Publications by PubMed
Acute toxicity and sublethal effects of gallic and pelargonic acids on the zebrafish Danio rerio.
Vortex-assisted hollow fibre liquid-phase microextraction technique combined with high performance liquid chromatography-diode array detection for the determination of oestrogens in milk samples.
Associative learning for host-induced fruit volatiles in Psyttalia concolor (Hymenoptera: Braconidae), a koinobiont parasitoid of tephritid flies.
In vitro determination of volatile compound development during starter culture-controlled fermentation of Cucurbitaceae cotyledons.
Combination of running-buffer-mediated extraction and polyamidoamine-dendrimer-assisted capillary electrophoresis for rapid and sensitive determination of free Fatty acids in edible oils.
Seafood-like flavour obtained from the enzymatic hydrolysis of the protein by-products of seaweed (Gracilaria sp.).
Comparative quantitative analysis of headspace volatiles and their association with BADH2 marker in non-basmati scented, basmati and non-scented rice (Oryza sativa L.) cultivars of India.
Valproic acid and its derivatives enhanced estrogenic activity but not androgenic activity in a structure dependent manner.
Profile of volatile organic compounds in exhaled breath changes as a result of gluten-free diet.
Perfluorinated alkylated substances in vegetables collected in four European countries; occurrence and human exposure estimations.
Analysis of irradiated cooked ham by direct introduction into the programmable temperature vaporizer of a multidimensional gas chromatography system.
Modulation of protein fermentation does not affect fecal water toxicity: a randomized cross-over study in healthy subjects.
Comparison of the effects of pelargonic acid vanillylamide and capsaicin on human vanilloid receptors.
Characterization of the volatile profile of thistle honey using headspace solid-phase microextraction and gas chromatography-mass spectrometry.
Effect of oxygen on volatile and sensory characteristics of Cabernet Sauvignon during secondary shelf life.
Anti-complement activity of essential oils from red and black rice bran.
One-procedure synthesis of capsiate from capsaicin by lipase-catalyzed dynamic transacylation.
The use of a semiochemical bait to enhance exposure of Amblyomma variegatum (Acari: Ixodidae) to Metarhizium anisopliae (Ascomycota: Hypocreales).
Antifeedants and feeding stimulants in bark extracts of ten woody non-host species of the pine weevil, Hylobius abietis.
Defining the typical aroma of sherry vinegar: sensory and chemical approach.
Effects of pork meat cut and packaging type on lipid oxidation and oxidative products during refrigerated storage (8 degrees C).
Design and synthesis of a novel fluorescent reagent, 6-oxy-(ethylpiperazine)-9-(2'-methoxycarbonyl) fluorescein, for carboxylic acids and its application in food samples using high-performance liquid chromatography.
Comparison of the volatile composition in thyme honeys from several origins in Greece.
Valine pathway is more crucial than phenyl propanoid pathway in regulating capsaicin biosynthesis in Capsicum frutescens mill.
Extract of the seed coat of Tamarindus indica inhibits nitric oxide production by murine macrophages in vitro and in vivo.
Measurement of emissions from air pollution sources. 4. C1-C27 organic compounds from cooking with seed oils.
Quantitative HPLC analysis of acids in Brazilian cachaças and various spirits using fluorescence detection of their 9-anthrylmethyl esters.
Structure-activity relationships of (4-acylpyrrol-2-yl)alkanoic acids as inhibitors of the cytosolic phospholipase A2: variation of the substituents in positions 1, 3, and 5.
Influence of carbon chain length on the hepatic effects of perfluorinated fatty acids. A 19F- and 31P-NMR investigation.
Influence of selected fatty acids upon plaque formation and caries in the rat.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
Metabolomics Database:Search
KEGG (GenomeNet):C01601
HMDB (The Human Metabolome Database):HMDB00847
FooDB:FDB003306
YMDB (Yeast Metabolome Database):YMDB01761
Export Tariff Code:2915.90.00.14
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•grade: technical 99% •econosan acid sanitizer: active ingredients 8.50% phosphoric acid, 10.0% propionic acid, 9.50% sulfuric acid, 3.00% capric acid; 3.00% nonanoic acid •mandate plus: active ingredients 1.09% capric acid and 6.30% nonanoic acid •mon 78999 herbicide: active ingredients 2.00% glyphosate, isopropylamine salt, and 2.00% nonanoic acid •rd 1653 herbicide: active ingredients 1.00% glyphosate, isopropylamine salt; 0.017% imazaquin, monoammonium salt; 2.00% nonanoic acid •rd 1662 herbicide: active ingredients 1.00% glyphosate, isopropylamine salt; 0.100% triethylamine triclopyr; 2.00% nonanoic acid •scythe herbicide: active ingredient 57.0% nonanoic acid •west agro acid sanitizer: active ingredients 28.5% phosphoric acid, 10.0% propionic acid, 3.00% capric acid, 3.00% nonanoic acid •biopesticide (non-systemic, broad-spectrum contact herbicide): ammonium nonanoate (pc code 031802; the end use product contains 40.0% by weight ammonium nonanoate; trade name: racer concentrate; formulation type: liquid)

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.489 to 7.655
Refractive Index 1.425 to 1.435 @ 20 °C
Melting Point 12 to 14°C @ 760 mm Hg
Boiling Point 254 to 256°C @ 760 mm Hg
Vapor Pressure 0.009 mmHg @ 25 °C
Vapor Density 5.4
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.42
Solubility
alcohol Yes
dipropylene glycol Yes
water, 284 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Waxy
waxy, dirty, cheesy, dairy
General comment At 10.00 % in dipropylene glycol. waxy dirty cheese cultured dairy
Mosciano, Gerard P&F 14, No. 6, 47, (1989) Waxy, dirty and cheesy with a cultured dairy nuance
Flavor Type: Fatty
fatty, waxy, cheesy, sweet, creamy
Mosciano, Gerard P&F 14, No. 6, 47, (1989) At 10.00 ppm. Fatty, waxy and cheesy with a mild sweet creamy background

Occurrences

Potential Uses

Applications
Odor purposes Geranium, Hop, Oakmoss absolute replacer, Orris
Flavoring purposes Cheese, Cream, Dairy
Other purposes Solvents
Cosmetic purposes Perfuming agents, Solvents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999

oral-mouse LD50 > 5000 mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999

intravenous-mouse LD50 224 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic, flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for nonanoic acid usage levels up to:
5.0000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -13.00000
beverages(nonalcoholic): -1.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -10.00000
fish products: --
frozen dairy: -7.80000
fruit ices: -7.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.60000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -10.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

Peer review of the pesticide risk assessment of the active substance pelargonic acid (nonanoic acid)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):112-05-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8158
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:1
nonanoic acid
Chemidplus:0000112050
RTECS:RA6650000 for cas# 112-05-0