Articles:
| Info: | eugenol and related hydroxyallylbenzene derivatives |
phenol, 4-allyl-2-methoxy-, benzoate
Notes:
Blends better than benzyl isoeugenol. Constit. of Perilla frutescens and the leaves of Dalmatian sage (Salvia officinalis). 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: | 531-26-0 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 208-504-4 | |
| FDA UNII: | YRO21E9Z35 | |
| Nikkaji Web: | J60.348A | |
| CoE Number: | 636 | |
| XlogP3-AA: | 4.40 (est) | |
| Molecular Weight: | 268.31212000 | |
| Formula: | C17 H16 O3 | |
| BioActivity Summary: | listing | |
| 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: | 1533 eugenyl benzoate |
| DG SANTE Food Flavourings: | 09.766 eugenyl benzoate |
| FEMA Number: | 2471 eugenyl benzoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 531-26-0 ; EUGENYL BENZOATE |
| 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 crystals (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 69.00 to 70.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 360.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000022 mmHg @ 25.00 °C. (est) |
| Flash Point: | 358.00 °F. TCC ( 181.11 °C. ) |
| logP (o/w): | 3.447 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.583 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: spicy | |
| balsamic clove spicy | |
| Odor Description: at 100.00 %. | mild balsam clove |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 4-allyl-2-methoxyphenyl benzoate 95% |
| ExtraSynthese |
| For experimental / research use only. |
| Benzoic acid eugenylester (GC) ≥98% |
| 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 eugenyl benzoate usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0024 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.13000 | 10.00000 | |
| beverages(nonalcoholic): | 0.03000 | 0.13000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.25000 | 2.00000 | |
| fruit ices: | 0.25000 | 2.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.25000 | 10.00000 | |
| 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:
| 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 Substance Registry Services (TSCA): | 531-26-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 62362 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2-methoxy-4-prop-2-enylphenyl) benzoate | |
| Chemidplus: | 0000531260 |
References:
| (2-methoxy-4-prop-2-enylphenyl) benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 531-26-0 |
| Pubchem (cid): | 62362 |
| Pubchem (sid): | 135020175 |
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): | HMDB32056 |
| FooDB: | FDB008763 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| banana | FR | |
| croton eluteria bark | FL/FR | |
| date | FR | |
| fixer | ||
| pear | FR |
Occurrence (nature, food, other): note
| cascarilla oil Search Trop Picture | |
| perilla Search Trop Picture | |
| sage Search Trop Picture |
Synonyms:
| 4- | allyl-2-methoxyphenyl benzoate |
| benzoyl eugenol | |
| eugenol benzoate | |
| p- | eugenol, benzoate |
| 4- | eugenyl benzoate |
| p- | eugenyl benzoate |
| para- | eugenyl benzoate |
| 2- | methoxy-4-(2-propenyl) phenyl benzoate |
| 2- | methoxy-4-(2-propenyl)phenyl benzoate |
| 2- | methoxy-4-(prop-2-en-1-yl)phenyl benzoate |
| (2- | methoxy-4-prop-2-enylphenyl) benzoate |
| phenol, 2-methoxy-4- (2-propenyl)-, benzoate | |
| phenol, 2-methoxy-4-(2-propen-1-yl)-, benzoate | |
| phenol, 4-allyl-2-methoxy-, benzoate |