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2-methyl undecanal (aldehyde C-12 mna)
General Material Information
| Preferred name | 2-methyl undecanal (aldehyde C-12 mna) |
| Trivial Name | 2-Methylundecanal |
| Short Description | 2-methylundecanal |
| Formula | C12 H24 O |
| CAS Number | 110-41-8 |
| Deleted CAS Number | 135026-96-9 |
| FEMA Number | 2749 |
| Flavis Number | 5.077 |
| ECHA Number | 203-765-0 |
| FDA UNII | S94QNS2VY5 |
| Nikkaji Number | J127.230F |
| Beilstein Number | 1758291 |
| MDL | MFCD00006990 |
| COE Number | 2010 |
| xLogP3-AA | 4.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 275 2-methylundecanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 110-41-8 ; 2-METHYLUNDECANAL |
| 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
| Leffingwell: | Chirality or Article |
| 2-methylundecanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 110-41-8 |
| Pubchem (cid): | 61031 |
| Pubchem (sid): | 135018442 |
| Publications by Info | |
| 2-Methylundecanal | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31734 |
| FooDB: | FDB008401 |
| Export Tariff Code: | 2912.30.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 184.32247924805 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.84 to 6.906 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.856 to 6.923 |
| Refractive Index | 1.43 to 1.436 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 1.428 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 4.834 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 5.372 mg/L @ 25 °C (est) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| alkalis | Unspecified |
| amines | Unspecified |
| ammonia | Unspecified |
| antiperspirant | Unspecified |
| cream | Unspecified |
| deodorant spray | Unspecified |
| detergent powder | Unspecified |
| hair spray | Unspecified |
| household product | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
| talcum powder | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| fresh, amber, aldehydic, mossy, citrus, tuberose, metallic, waxy, coumarinic, gassy | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 388 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 1.00 % in dipropylene glycol. fresh amber aldehydic moss citrus tuberose metallic waxy coumarinic |
| Mosciano, Gerard P&F 19, No. 2, 55, (1994) | Gassy, diffusive, metallic, waxy, with coumarin and citrus nuances |
| Flavor Type: Waxy | |
| waxy, fatty, metallic, citrus | |
| Mosciano, Gerard P&F 19, No. 2, 55, (1994) | At 2.00 ppm. Waxy, fatty, metallic, with citrus nuances |
| An interesting topnote for fruit flavors such as peach and apricot. | Waxy fatty |
| General comment | Waxy fatty metallic citrus |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Aldehydic , Amber , Apricot , Bergamot , Cedar , Christmas , Chypre , Citrus , Coconut , Cologne , Cyclamen , Fir balsam , Fir needle oil replacer , Gardenia , Hay new mown hay , Herbal , Honey , Honeysuckle , Incense , Jasmin , Leather russian leather , Lemon , Linden flower , Mandarin , Moss , Musk , Myrrh , Orange , Orange blossom , Orchid , Peach , Sandalwood , Spring rain , Sweet pea , Tonka bean , Tuberose , Violet , Woody , Zibeline |
| Other purposes | Aimant , Amour-amour , Arpege , Chanel #5 , Cinq fleurs forvil , Fir , My sin , Pompeia , Rive gauche , Rochas , Scandal , Tide , White linen |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation H330 - Fatal if inhaled H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P501 - Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 10000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973. | |
| 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 2-methyl undecanal (aldehyde C-12 mna) usage levels up to: | |||
| 2.0000 % 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: | - | 1.30000 | |
| beverages(nonalcoholic): | - | 0.31000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.20000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.11000 | |
| fruit ices: | - | 0.11000 | |
| gelatins / puddings: | 0.50000 | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.94000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.33000 | |
| 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
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):110-41-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61031 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2-methylundecanal |
| Chemidplus:0000110418 |
| RTECS:YQ1509000 for cas# 110-41-8 |