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ethylene brassylate
General Material Information
| Preferred name | ethylene brassylate |
| Trivial Name | Ethylene brassylate |
| Short Description | 1,11-undecanedicarboxylic acid, ester with ethylene glycol |
| Formula | C15 H26 O4 |
| CAS Number | 105-95-3 |
| FEMA Number | 3543 |
| ECHA Number | 203-347-8 |
| FDA UNII | 9A87HC7ROD |
| Nikkaji Number | J45.855D |
| Beilstein Number | 0212344 |
| MDL | MFCD00046977 |
| COE Number | 10571 |
| xLogP3-AA | 4.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 626 ethylene brassylate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-95-3 ; ETHYL BRASSYLATE |
| 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
| 1,4-dioxacycloheptadecane-5,17-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-95-3 |
| Pubchem (cid): | 61014 |
| Pubchem (sid): | 135018291 |
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): | HMDB40459 |
| FooDB: | FDB020212 |
| Export Tariff Code: | 2917.19.2700 |
| ChemSpider: | View |
| FAO: | Ethylene brassylate |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 270.36901855469 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.654 to 8.712 |
| Refractive Index | 1.468 to 1.474 @ 20 °C |
| Boiling Point | 138 to 142°C @ 1 mm Hg |
| Boiling Point | 330 to 331°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 2.773 est |
| Shelf life | 36 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 |
| dipropylene glycol | Yes |
| paraffin oil | Yes |
| water, 1.719 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| concentrated fabric softener | Good |
| liquid detergent | Good |
| toiletry application | Good |
| antiperspirant | Fair |
| perborate powder detergent | Fair |
| soap | Fair |
| hypochlorite bleach | Poor |
Organoleptic Properties
| Odor Type: Musk | |
| powdery, sweet, floral, ambrette, musk, woody, spicy, vanilla | |
| Odor strength | medium |
| Substantivity | 208 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 100.00 %. powdery sweet floral ambrette musk woody |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | Powdery, sweet, floral and ambrette-like with woody, spicy and vanilla nuances |
| Flavor Type: Musk | |
| musk, sweet, powdery, floral, vanilla | |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | At 0.50 ppm. Musky, sweet, powdery, floral, vanilla and perfumey |
| General comment | Fruity, slightly fat |
Potential Uses
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 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 | |
| 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. | |
| Human Experience: | |
| 30 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 5000 mg/kg Take off contaminated clothing and wash before reuse. | |
| 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 ethylene brassylate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.00 (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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | 2.00000 | |
| 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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-95-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61014 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1,4-dioxacycloheptadecane-5,17-dione |
| Chemidplus:0000105953 |
| RTECS:YQ1927500 for cas# 105-95-3 |