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benzyl 2,3-dimethylcrotonate
Notes:
Flavouring agent
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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: | 7492-69-5 |  3D/inchi
|
| FDA UNII: | Q2Z1O33EAA | |
| Nikkaji Web: | J1.536.419J | |
| CoE Number: | 11868 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 204.26892000 | |
| Formula: | C13 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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: | 847 benzyl 2,3-dimethylcrotonate |
| DG SANTE Food Flavourings: | 09.508 benzyl 2,3-dimethylcrotonate |
| FEMA Number: | 2143 benzyl 2,3-dimethylcrotonate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7492-69-5 ; BENZYL 2,3-DIMETHYLCROTONATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear oily liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01700 to 1.02300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.462 to 8.512 |
| Refractive Index: | 1.51000 to 1.51700 @ 20.00 °C. |
| Boiling Point: | 259.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 296.00 °F. TCC ( 146.67 °C. ) |
| logP (o/w): | 3.454 (est) |
| Soluble in: | |
| alcohol | |
| water, 17.87 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl tiglate | |
| amyl tiglate | |
| isoamyl tiglate | |
| benzyl tiglate | |
| butyl tiglate | |
| isobutyl tiglate | |
| cinnamyl tiglate | |
| (E)-citronellyl tiglate | |
| (E)-ethyl tiglate | |
| geranyl methyl tiglate | |
| geranyl tiglate | |
| (Z)-3-hexen-1-yl tiglate | |
| hexyl tiglate | |
| methyl tiglate | |
| 3-octyl tiglate | |
| phenethyl tiglate | |
| propyl tiglate | |
| isopropyl tiglate | |
Organoleptic Properties:
| Odor Type: herbal | |
| warm herbal fruity spicy | |
| Odor Description: at 10.00 % in dipropylene glycol. | warm herbal fruity spicy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| Benzyl Methyl Tiglate |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for benzyl methyl tiglate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.50000 | |
| beverages(nonalcoholic): | - | 0.75000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.80000 | |
| fruit ices: | - | 2.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.80000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf | |
| 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 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61402 |
| National Institute of Allergy and Infectious Diseases: | Data |
| benzyl 2,3-dimethylbut-2-enoate | |
| Chemidplus: | 0007492695 |
References:
| benzyl 2,3-dimethylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7492-69-5 |
| Pubchem (cid): | 61402 |
| Pubchem (sid): | 135018884 |
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): | HMDB36224 |
| FooDB: | FDB015082 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR | |
| green | FL | |
| herbal | FL | |
| spice | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzyl 2,3-dimethyl crotonate | |
| benzyl 2,3-dimethyl-2-butenoate | |
| benzyl 2,3-dimethylbut-2-enoate | |
| benzyl 2,3-dimethylcrotonate | |
| benzyl methyltiglate | |
| 2- | butenoic acid, 2,3-dimethyl-, phenylmethyl ester |
| crotonic acid, 2,3-dimethyl-, benzyl ester | |
| 2,3- | dimethyl crotonic acid benzyl ester |
| 2,3- | dimethyl-2-butenoic acid benzyl ester |
| 2,3- | dimethyl-2-butenoic acid phenyl methyl ester |
| phenyl methyl 2,3-dimethyl-2-butenoate | |
| phenylmethyl 2,3-dimethyl-2-butenoate | |
| phenylmethyl 2,3-dimethylbut-2-enoate |