Articles:
| None found yet. Try the PubMed Search. |
ethyl 2-ethyl-3-phenylpropanoate
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: | 2983-36-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 221-042-8 | |
| FDA UNII: | 339VVA8HGK | |
| Nikkaji Web: | J76.356J | |
| CoE Number: | 10587 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 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: | 1475 ethyl 2-ethyl-3-phenylpropanoate |
| DG SANTE Food Flavourings: | 09.802 ethyl 2-ethyl-3-phenylpropionate |
| FEMA Number: | 3341 ethyl 2-ethyl-3-phenylpropanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2983-36-0 ; ETHYL 2-ETHYL-3-PHENYLPROPANOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97200 to 0.97900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.088 to 8.146 |
| Refractive Index: | 1.48300 to 1.48900 @ 20.00 °C. |
| Boiling Point: | 72.00 °C. @ 0.09 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 219.00 °F. TCC ( 103.89 °C. ) |
| logP (o/w): | 3.790 (est) |
| Soluble in: | |
| alcohol | |
| water, 16.47 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| green floral fruity | |
| Odor Description: at 100.00 %. | green floral fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Benzenepropanoic acid, a-ethyl-, ethyl ester |
| BOC Sciences |
| For experimental / research use only. |
| Ethyl 2-benzylbutyrate |
| 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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for ethyl 2-benzyl butyrate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90 (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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | 25.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 50.00000 | |
| 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): | |
| Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2983-36-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 62469 |
| National Institute of Allergy and Infectious Diseases: | Data |
| ethyl 2-(phenylmethyl)butanoate | |
| Chemidplus: | 0002983360 |
References:
| ethyl 2-(phenylmethyl)butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2983-36-0 |
| Pubchem (cid): | 62469 |
| Pubchem (sid): | 135019451 |
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): | HMDB37194 |
| FooDB: | FDB016196 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| floral | FR | |
| green | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzenepropanoic acid, a-ethyl-, ethyl ester | |
| ethyl 2-(phenylmethyl)butanoate | |
| ethyl 2-benzyl butanoate | |
| ethyl 2-benzylbutanoate | |
| ethyl 2-benzylbutyrate | |
| ethyl 2-ethyl benzene propanoate | |
| ethyl 2-ethyl dihydrocinnamate | |
| ethyl 2-ethyl-3-phenyl propanoate | |
| ethyl 2-ethyl-3-phenylpropanoate | |
| ethyl 2-ethyl-3-phenylpropionate | |
| ethyl alpha-ethyl benzene propanoate | |
| ethyl alpha-ethyl hydrocinnamate | |
| alpha- | ethyl benzene propanoic acid ethyl ester |