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dimethyl-2,6-octadien-1-yl 2-ethylbutanoate
Notes:
Flavouring ingredient
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 73019-14-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 277-234-7 | |
| FDA UNII: | 842I7XQG7D | |
| Nikkaji Web: | J309.231C | |
| CoE Number: | 11667 | |
| XlogP3-AA: | 5.20 (est) | |
| Molecular Weight: | 252.39756000 | |
| Formula: | C16 H28 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 78 dimethyl-2,6-octadien-1-yl 2-ethylbutanoate |
| DG SANTE Food Flavourings: | 09.515 (E)-geranyl 2-ethylbutyrate |
| FEMA Number: | 3339 dimethyl-2,6-octadien-1-yl 2-ethylbutanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 73019-14-4 ; 2-TRANS-3,7-DIMETHYLOCTA-2,6-DIENYL 2-ETHYLBUTANOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Equivalence Factor for Assay: | 126.20 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88900 to 0.89600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.397 to 7.456 |
| Refractive Index: | 1.44900 to 1.45800 @ 20.00 °C. |
| Boiling Point: | 286.00 to 288.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000186 mmHg @ 25.00 °C. (est) |
| Flash Point: | 209.00 °F. TCC ( 98.33 °C. ) |
| logP (o/w): | 6.046 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1083 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| (E)-geranyl 2-ethyl butyrate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
oral-mouse LD50 > 8000 mg/kg (Pellmont et al., 1968) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-geranyl 2-ethyl butyrate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.00 (μg/capita/day) | ||
| 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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 100.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | 40.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 40.00000 | |
| fruit ices: | - | 40.00000 | |
| gelatins / puddings: | - | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 75.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 50.00000 | |
| 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 | |
| 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 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 73019-14-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5362579 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate | |
| Chemidplus: | 0073019144 |
References:
| [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5362579 |
| Pubchem (sid): | 135267727 |
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 |
| HMDB (The Human Metabolome Database): | HMDB38255 |
| FooDB: | FDB017549 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| caramellic | ||
| maltyl isobutyrate | FL/FR | |
| floral | ||
| phenethyl acetate | FL/FR | |
| geranyl methyl tiglate | ||
| tropical indene | FR | |
| tropical ionone | FL/FR | |
| tropical thiazole | FL/FR | |
| green | ||
| ethyl (E,Z)-2,4-decadienoate | FL/FR | |
| heptanal dimethyl acetal | FL/FR | |
| 1- | penten-3-ol | FL/FR |
| herbal | ||
| viridiflorol | FL/FR | |
| sulfurous | ||
| buchu mercaptan | FL/FR | |
| cassis pentanone | FL/FR | |
| passiflora acetate | FL/FR | |
| tropical | ||
| tropical 3-thiobutyrate | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| ethyl 3-octenoate | FL | |
| viridiflorol | FL/FR | |
| alliaceous | ||
| tropical thiazole | FL/FR | |
| floral | ||
| tropical ionone | FL/FR | |
| fruity | ||
| geranyl methyl tiglate | ||
| green | ||
| cassis pentanone | FL/FR | |
| ethyl (E,Z)-2,4-decadienoate | FL/FR | |
| heptanal dimethyl acetal | FL/FR | |
| 1- | penten-3-ol | FL/FR |
| honey | ||
| phenethyl acetate | FL/FR | |
| jammy | ||
| maltyl isobutyrate | FL/FR | |
| sulfurous | ||
| buchu mercaptan | FL/FR | |
| methyl 2-(methyl thio) butyrate | FL | |
| methyl thiomethyl butyrate | FL | |
| tropical 3-thiobutyrate | FL/FR | |
| tropical | ||
| passiflora acetate | FL/FR | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| geranium Search Trop Picture |
Synonyms:
| butanoic acid, 2-ethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester | |
| butanoic acid, 2-ethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- | |
| (E)-3,7- | dimethyl octa-2,6-dienyl 2-ethyl butanoate |
| (E)- | dimethyl octa-2,6-dienyl 2-ethyl butyrate |
| dimethyl-2,6-octadien-1-yl 2-ethylbutanoate | |
| (E)- | dimethyl-2,6-octadienyl 2-ethyl butyrate |
| 3,7- | dimethyl-2,6-octadienyl 2-ethylbutanoate, (E)- |
| 3,7- | dimethylocta-2,6-dienyl 2-ethylbutanoate |
| (E)-3,7- | dimethylocta-2,6-dienyl 2-ethylbutyrate |
| 3,7- | dimethylocta-2,6-dienyl 2-ethylbutyrate |
| 3,7 - | dimethylocta-2,6-dienyl-2-ethylbutanoate |
| [(2E)-3,7- | dimethylocta-2,6-dienyl] 2-ethylbutanoate |
| (E)- | geranyl 2-ethylbutyrate |
| (E)- | neryl 2-ethyl butyrate |