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10-undecenal (aldehyde C-11 undecylenic)
General Material Information
| Preferred name | 10-undecenal (aldehyde C-11 undecylenic) |
| Trivial Name | 10-Undecenal |
| Short Description | 10-undecenal |
| Formula | C11 H20 O |
| CAS Number | 112-45-8 |
| FEMA Number | 3095 |
| ECHA Number | 203-973-1 |
| FDA UNII | DU1OTA08RY |
| Nikkaji Number | J61.751B |
| Beilstein Number | 1746480 |
| MDL | MFCD00007032 |
| COE Number | 122 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 330 10-undecenal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 112-45-8 ; 10-UNDECENAL |
| 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
| undec-10-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 112-45-8 |
| Pubchem (cid): | 8187 |
| Pubchem (sid): | 134973341 |
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): | HMDB31128 |
| FooDB: | FDB003139 |
| Export Tariff Code: | 2912.19.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 168.27960205078 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.99 to 7.056 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.006 to 7.073 |
| Refractive Index | 1.44 to 1.445 @ 20 °C |
| Boiling Point | 98 to 100°C @ 3 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.039 mmHg @ 25 °C |
| Flash Point TCC Value | 92.78 °C TCC |
| logP (o/w) | 4.072 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Refrigerate in tightly sealed containers. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| paraffin oil | Yes |
| propylene glycol | Yes |
| water, 30 mg/L @ 20 °C (exp) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| waxy, aldehydic, rose, mandarin, citrus, soapy, fatty, green | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 380 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 1.00 % in dipropylene glycol. waxy aldehydic rose mandarin citrus soapy fatty |
| Mosciano, Gerard P&F 22, No. 5, 67, (1997) | Citrus, waxy, fatty and aldehydic with a green, soapy nuance |
| Flavor Type: Fatty | |
| fatty, oily, aldehydic, mandarin, citrus | |
| Mosciano, Gerard P&F 22, No. 5, 67, (1997) | At 2.50 ppm. Fatty, oily and aldehydic with a mandarin, citrus nuance |
| Used sparingly for its rose and woody notes in berry flavors. | Waxy |
| General comment | Powerful, rose-floral, woody |
| Occasionally used, for its powerful "aldehyde" note, in floral, citrus and fruit flavours. Normal use levels in finished consumer product: 0.001-0.2 ppm. Council of Europe limits: Foods (0.2 ppm); Beverages (0.1 ppm).C (This product should not be confused with Aldehyde C11, Undecylic.) | Fatty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Aldehydic , Angel essence , Bayberry , Berry , Bouquet , Cherry , Cherry blossom , Citrus , Crabapple blossom , Floral , Gardenia , Green , Herbal , Hollyberry , Honey , Honeysuckle , Incense , Leather , Lilac , Mandarin , Mimosa , Musk , Myrrh , New car , Orange , Orris , Peony , Pine , Pine forest , Powder , Rain , Rose , Rose red rose , Rose white rose , Spice , Tangerine , Tuberose , Wallflower , Woody , Zibeline |
| Other purposes | Aimant , Amour-amour , Arpege , Chanel #5 , Joy , My sin , Rive gauche , Rochas , Scandal , Shalimar , Topnotes , Waxy , White linen |
| Cosmetic purposes | Fragrance , Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic 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) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 5), H303 Acute toxicity, dermal (Category 5), H313 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 Serious eye damage/eye irritation (Category 2A), H320 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H303 - May be harmfulif swallowed H313 - May be harmful in contact with skin H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation H320 - Causes eye irritation H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 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. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. 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. P370 + P378 - In case of fire: Use appropriate media to extinguish. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Hart & Wong, 1971) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 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 10-undecenal (aldehyde C-11 undecylenic) usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.32 (μg/capita/day) | ||
| 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: | - | - | |
| beverages(nonalcoholic): | 0.05000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.20000 | |
| fruit ices: | - | 0.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.20000 | |
| 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 Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| 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) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| 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 6, Revision 1 (FGE.06Rev1) - 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 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 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 |
| Safety and efficacy of non-conjugated and accumulated unsaturated straight-chain and branched-chain, aliphatic primary alcohols, aldehydes, acids, acetals and esters belonging to chemical group 4 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):112-45-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8187 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| undec-10-enal |
| Chemidplus:0000112458 |
| RTECS:YQ2835000 for cas# 112-45-8 |