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ethyl nonanoate
General Material Information
| Preferred name | ethyl nonanoate |
| Trivial Name | Ethyl nonanoate |
| Short Description | ethyl pelargonate |
| Formula | C11 H22 O2 |
| CAS Number | 123-29-5 |
| FEMA Number | 2447 |
| ECHA Number | 204-615-7 |
| FDA UNII | KSH683S98J |
| Nikkaji Number | J5.539E |
| Beilstein Number | 1759169 |
| MDL | MFCD00009570 |
| COE Number | 388 |
| xLogP3-AA | 4.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 34 ethyl nonanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-29-5 ; ETHYL NONANOATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| ethyl nonanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-29-5 |
| Pubchem (cid): | 31251 |
| Pubchem (sid): | 134974390 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40193 |
| FooDB: | FDB019905 |
| YMDB (Yeast Metabolome Database): | YMDB01354 |
| Export Tariff Code: | 2915.90.1800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.181 to 7.198 |
| Refractive Index | 1.421 to 1.426 @ 20 °C |
| Melting Point | -45 to -44°C @ 760 mm Hg |
| Boiling Point | 228 to 229°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.116 mmHg @ 25 °C |
| Vapor Density | 6.4 |
| Flash Point TCC Value | 76.67 °C TCC |
| logP (o/w) | 4.352 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 10.87 mg/L @ 25 °C (est) | Yes |
| water, 29.5 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Waxy | |
| fruity, rose, waxy, rummy, winey, natural, tropical, cognac, estery, apple, banana | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. fruity rose waxy rum wine natural tropical |
| Mosciano, Gerard P&F 23, No. 5, 49, (1998) | At 5.00 %. Waxy, cognac, estery, fruity apple and banana, tropical, winey |
| Flavor Type: Waxy | |
| waxy, soapy, cognac, estery, fruity, tropical, grape | |
| Mosciano, Gerard P&F 23, No. 5, 49, (1998) | At 25.00 ppm. Waxy, soapy, cognac, estery fruity and tropical, grape |
| General comment | Fatty-oily, fruity, nutty, wine-note; estry, green, waxy with banana and tropical nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Butter , Chamomile , Cherry , Coffee , Cognac , Elder berry , Fir needle oil replacer , Floral , Freesia , Grape , Honey , Hop , Licorice , Melon , Mulberry , Orris , Peach , Pear , Pineapple , Plum , Raisin , Rose , Sherry , Strawberry , Tonka bean , Tuberose , Valerian , Wine , Woodruff |
| Flavoring purposes | Plum greengage plum , Tropical , Valerian |
| Other purposes | Topnotes |
| Cosmetic purposes | Perfuming agents , Skin conditioning - emollient |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 12 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 43000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-guinea pig LD50 24000 mg/kg GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM GASTROINTESTINAL: GASTRITIS Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| 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 ethyl nonanoate usage levels up to: | |||
| 8.0000 % 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: | - | 15.00000 | |
| beverages(nonalcoholic): | - | 3.90000 | |
| beverages(alcoholic): | - | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 580.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 39.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.00000 | |
| fruit ices: | - | 4.00000 | |
| gelatins / puddings: | - | 15.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 14.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| 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): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| 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 |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):123-29-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31251 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| ethyl nonanoate |
| Chemidplus:0000123295 |
| RTECS:RA6845000 for cas# 123-29-5 |