Articles:
| Info: | eugenol and related hydroxyallylbenzene derivatives |
(2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate
Notes:
Used as a food additive [EAFUS]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 05-83000 EUGENYL ISOVALERATE
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| CAS Number: | 61114-24-7 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 262-613-1 | |
| FDA UNII: | FBC808249X | |
| Nikkaji Web: | J268.400D | |
| XlogP3: | 3.60 (est) | |
| Molecular Weight: | 248.32200000 | |
| Formula: | C15 H20 O3 | |
| 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: | 1532 eugenyl isovalerate |
| DG SANTE Food Flavourings: | 09.878 eugenyl isovalerate |
| FEMA Number: | 4118 eugenyl isovalerate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 61114-24-7 ; EUGENYL ISOVALERATE |
Physical Properties:
Organoleptic Properties:
| Odor Type: spicy | |
| fruity spicy clove | |
| Odor Description: at 100.00 %. | fruity spicy clove |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Butanoic acid,3-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester |
| Parchem |
| eugenyl isovalerate |
| Penta International |
| EUGENYL ISOVALERATE |
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 | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for eugenyl isovalerate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2300 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.20000 | 1.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.20000 | 1.00000 | |
| cheese: | 0.50000 | 2.50000 | |
| chewing gum: | 1.00000 | 5.00000 | |
| condiments / relishes: | 0.30000 | 1.50000 | |
| confectionery froastings: | 0.20000 | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.20000 | 1.00000 | |
| fish products: | 0.20000 | 1.00000 | |
| frozen dairy: | 0.50000 | 2.50000 | |
| fruit ices: | 0.50000 | 2.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.30000 | 1.50000 | |
| hard candy: | 1.00000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.20000 | 1.00000 | |
| milk products: | 0.50000 | 2.50000 | |
| nut products: | - | - | |
| other grains: | 0.20000 | 1.00000 | |
| poultry: | 0.20000 | 1.00000 | |
| processed fruits: | 0.40000 | 2.00000 | |
| processed vegetables: | 0.40000 | 2.00000 | |
| reconstituted vegetables: | 0.40000 | 2.00000 | |
| seasonings / flavors: | 0.30000 | 1.50000 | |
| snack foods: | 2.00000 | 10.00000 | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | 0.30000 | 1.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) 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 : | 3085213 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate | |
| Chemidplus: | 0061114247 |
References:
| (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3085213 |
| Pubchem (sid): | 135233291 |
| Pherobase: | View |
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 |
| KEGG (GenomeNet): | C05119 |
| HMDB (The Human Metabolome Database): | HMDB34123 |
| FooDB: | FDB012394 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| clove | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| valerian root oil @ 0.1-0.4% Data GC Search Trop Picture |
Synonyms:
| 4- | allyl-2-methoxyphenyl 3-methyl butanoate |
| 4- | allyl-2-methoxyphenyl 3-methylbutanoate |
| 4- | allyl-2-methoxyphenyl 3-methylbutyrate |
| 4- | allyl-2-methoxyphenyl isovalerate |
| butanoic acid, 3-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester | |
| eugenol isovalerate | |
| 2- | methoxy-4-(2-propen-1-yl)phenyl 3-methylbutanoate |
| (2- | methoxy-4-prop-2-enylphenyl) 3-methylbutanoate |