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undecanal
General Material Information
| Preferred name | undecanal |
| Trivial Name | Undecanal |
| Short Description | hendecanal |
| Formula | C11 H22 O |
| CAS Number | 112-44-7 |
| FEMA Number | 3092 |
| Flavis Number | 5.034 |
| ECHA Number | 203-972-6 |
| FDA UNII | B6P0A9PSHN |
| Nikkaji Number | J61.748B |
| Beilstein Number | 1753213 |
| MDL | MFCD00007016 |
| COE Number | 121 |
| xLogP3-AA | 4.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 107 undecanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 112-44-7 ; UNDECANAL |
| 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
| undecanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 112-44-7 |
| Pubchem (cid): | 8186 |
| Pubchem (sid): | 134973340 |
| Flavornet: | 112-44-7 |
| 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): | HMDB30941 |
| FooDB: | FDB002916 |
| Export Tariff Code: | 2912.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 170.29554748535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.865 to 6.931 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.881 to 6.948 |
| Refractive Index | 1.43 to 1.434 @ 20 °C |
| Melting Point | -3 to -1°C @ 760 mm Hg |
| Boiling Point | 109 to 115°C @ 5 mm Hg |
| Acid Value | 10 max KOH/g |
| Vapor Pressure | 0.083 mmHg @ 25 °C |
| Vapor Density | 5.94 |
| Flash Point TCC Value | 96.11 °C TCC |
| logP (o/w) | 4.48 est |
| Solubility | |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| propylene glycol | Yes |
| water, 14.27 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| antiperspirant roll-on | Unspecified |
| cream | Unspecified |
| deodorant spray | Unspecified |
| hair spray | Unspecified |
| non-discoloring in most media | Unspecified |
| permanent wave lotion | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| waxy, soapy, floral, aldehydic, citrus, green, fatty, cloth laundered cloth, orange, watermelon, pineapple, cilantro | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 72 hour(s) at 100.00 % |
| Luebke, William tgsc, (1981) | At 1.00 % in dipropylene glycol. waxy soapy floral aldehydic citrus green fatty fresh laundry |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | At 1.00 %. Intensely soapy, aldehydic waxy and slightly effervescent orange citrus-like with a watermelon, pineapple and cilantro background |
| Flavor Type: Waxy | |
| waxy, aldehydic, soapy, citrus, taco, cloth laundered cloth | |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | At 5.00 - 20.00 ppm. Waxy, aldehydic, soapy with a citrus note and slight laundry detergent nuance |
| Used in fruit and citrus flavors. | Waxy citrus |
| General comment | Waxy citrus peel buttery waxy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Amber , Banana , Cherry blossom , Citrus , Clean linen , Floral , Grapefruit , Herbal , Hibiscus , Honey , Incense , Leather russian leather , Lemon , Mandarin , Melon , Orange , Orris , Rose , Wallflower |
| Flavoring purposes | Milk , Nut , Tropical |
| Other purposes | Clean , Peel , Topnotes |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| 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 undecanal usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Structure Class: | I | ||
| 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: | - | 2.40000 | |
| beverages(nonalcoholic): | - | 0.95000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 56.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.10000 | |
| fruit ices: | - | 3.10000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| 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): |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission 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):112-44-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8186 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| undecanal |
| Chemidplus:0000112447 |
| RTECS:YQ1500000 for cas# 112-44-7 |