| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 93-89-0 |
| ECHA EC Number: | 202-284-3 |
| FDA UNII: | J115BRJ15H |
| CoE Number: | 261 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | ethyl benzoate |
| InChI : | InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| Std.InChI: | InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey : | MTZQAGJQAFMTAQ-UHFFFAOYAI |
| Std.InChIKey: | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| SMILES : | CCOC(=O)C1=CC=CC=C1 |
| MDL: | MFCD00009109 |
| Molar Refractivity : | 42.65 ± 0.3 cm3 (est) |
| Parachor : | 351.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.504 ± 0.02 (est) |
| Surface Tension : | 35.8 ± 3.0 dyne/cm (est) |
| Density : | 1.044 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.91 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 852 ethyl benzoate |
| DG SANTE Food Flavourings: | 09.726 ethyl benzoate |
| DG SANTE Food Contact Materials: | ethyl benzoate |
| FEMA Number: | 2422 ethyl benzoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 93-89-0 ; ETHYL 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. | |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.04310 to 1.04600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.680 to 8.704 |
| Refractive Index: | 1.50200 to 1.50600 @ 20.00 °C. |
| Melting Point: | -35.00 to -34.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 212.00 to 214.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 95.00 to 96.00 °C. @ 15.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.267000 mmHg @ 25.00 °C. |
| Vapor Density: | 5.17 ( Air = 1 ) |
| Flash Point: | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w): | 2.640 |
| Soluble in: | |
| alcohol | |
| fixed oils | |
| propylene glycol | |
| water, 720 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| glycerin | |
| Stability: | |
| non-discoloring in most media | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents preservatives |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 2100 mg/kg (Graham & Kuizenga, 1945) oral-rat LD50 [sex: M,F] 6480 mg/kg (Smyth et al., 1954) oral-rabbit LD50 2630 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SKIN AND APPENDAGES (SKIN): HAIR: OTHERBEHAVIORAL: MUSCLE WEAKNESS Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. oral-rat LD50 2100 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHERLUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: MUSCLE WEAKNESS Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. | |
| Dermal Toxicity: | |
| skin-cat LDLo 10000 mg/kg BEHAVIORAL: MUSCLE WEAKNESSGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSBEHAVIORAL: TREMOR Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 | |||
| limits in the finished product for - "leave on the skin contact": | |||
| 0.5000 % Recommendation. | |||
| limits in the finished product for - "wash off the skin contact": | |||
| 0.5000 % Recommendation. | |||
| limits in the finished product for - "no skin contact": | |||
| 8.0000 % Recommendation. | |||
| Recommendation for ethyl benzoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 96.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 110.00 (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: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 2.80000 | |
| beverages(alcoholic): | - | 0.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 59.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.80000 | |
| fruit ices: | - | 2.80000 | |
| gelatins / puddings: | - | 0.06000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.00000 | |
| 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: | - | - | |
| 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 Substance Registry Services (TSCA):93-89-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7165 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| ethyl benzoate |
| Chemidplus:0000093890 |
| RTECS:DH0200000 for cas# 93-89-0 |
| ethyl benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 93-89-0 |
| Pubchem (cid): | 7165 |
| Pubchem (sid): | 134970793 |
| Flavornet: | 93-89-0 |
| Pherobase: | View |
| (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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C01839 |
| HMDB (The Human Metabolome Database): | HMDB33967 |
| FooDB: | FDB012197 |
| Export Tariff Code: | 2916.31.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
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| benzoic acid ethyl ester | |
| benzoic acid ethylester | |
| benzoic acid, ethyl ester | |
| benzoic ether | |
| benzoyl ethyl ether | |
| ethyl benzene carboxylate | |
| ethyl benzenecarboxylate | |
| nat. | ethyl benzoate |
| ethyl benzoate (natural) | |
| ethyl benzoate FCC | |
| ethyl benzoate natural | |
| ethyl benzoate, natural | |
| ethylbenzoate |
