| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 112-05-0 |
| ECHA EC Number: | 203-931-2 |
| FDA UNII: | 97SEH7577T |
| CoE Number: | 29 |
| Category: | cosmetic, flavor and fragrance agents |
| IUPAC Name: | nonanoic acid |
| InChI : | InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
| Std.InChI: | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey : | FBUKVWPVBMHYJY-UHFFFAOYAF |
| Std.InChIKey: | FBUKVWPVBMHYJY-UHFFFAOYSA-N |
| SMILES : | CCCCCCCCC(=O)O |
| MDL: | MFCD00004433 |
| Molar Refractivity : | 45.30 ± 0.3 cm3 (est) |
| Parachor : | 412.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.440 ± 0.02 (est) |
| Surface Tension : | 33.1 ± 3.0 dyne/cm (est) |
| Density : | 0.921 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.96 ± 0.5 10-24cm3 (est) |
| 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 |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, 284 mg/L @ 20 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents solvents |
| 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 | |
| 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 ppm | average 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: | - | - | |
| 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 |
| 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 |
| (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) | |
| ambrette seed concrete @ 0.10% Data GC Search Trop Picture | |
| apple fruit Search Trop Picture | |
| apple plant Search Trop Picture | |
| banana fruit Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| cacao bean seed Search Trop Picture | |
| cassia plant Search Trop Picture | |
| cayenne fruit Search Trop Picture | |
| chamomile oil @ 0.04% Data GC Search Picture | |
| cheese Search PMC Picture | |
| cistus oil @ 1.6% Data GC Search Trop Picture | |
| citrus fruits Search PMC Picture | |
| dialium guineense wild.fruit oil france @ 11.40% Data GC Search Trop Picture | |
| geranium Search Trop Picture | |
| helichrysum arenarium (l.) moench oil hungary @ 6.90% Data GC Search Trop Picture | |
| hop Search Trop Picture | |
| hyssop plant Search Trop Picture | |
| lavender Search Trop Picture | |
| litsea cubeba Search Trop Picture | |
| malpighia glabra l. fruit oil @ 0.20% Data GC Search Trop Picture | |
| mandarin fruit Search Trop Picture | |
| marjoram wild marjoram plant Search Trop Picture | |
| mustard white mustard Search Trop Picture | |
| oakmoss Search Trop Picture | |
| oregano plant Search Trop Picture | |
| orris Search PMC Picture | |
| rice plant Search Trop Picture | |
| rose Search PMC Picture | |
| roselle fruit Search Trop Picture | |
| roselle seed Search Trop Picture | |
| rugula herb Search Trop Picture | |
| soybean seed Search Trop Picture | |
| star fruit oil cuba @ 0.10% Data GC Search Trop Picture | |
| ulva rigida oil greece @ 1.60% Data GC Search PMC Picture | |
| water mint shoot Search Trop Picture | |
| witch hazel leaf oil @ 0.11% Data GC Search Trop Picture |
| nonanoic acid | |
| 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 |
