| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 140-11-4 |
| ECHA EC Number: | 205-399-7 |
| FDA UNII: | 0ECG3V79ZJ |
| CoE Number: | 204 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | benzyl acetate |
| InChI : | InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| Std.InChI: | InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey : | QUKGYYKBILRGFE-UHFFFAOYAD |
| Std.InChIKey: | QUKGYYKBILRGFE-UHFFFAOYSA-N |
| SMILES : | CC(=O)OCC1=CC=CC=C1 |
| MDL: | MFCD00008712 |
| Molar Refractivity : | 42.20 ± 0.3 cm3 (est) |
| Parachor : | 348.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.505 ± 0.02 (est) |
| Surface Tension : | 35.9 ± 3.0 dyne/cm (est) |
| Density : | 1.055 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.73 ± 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: | 23 benzyl acetate |
| DG SANTE Food Flavourings: | 09.014 benzyl acetate |
| FEMA Number: | 2135 benzyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 140-11-4 ; BENZYL ACETATE |
| 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 |
| Halogens: | passes test for chlorinated compounds |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.04900 to 1.05900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.729 to 8.812 |
| Specific Gravity: | 1.05900 to 1.06200 @ 15.00 °C. |
| Pounds per Gallon - est.: | 8.830 to 8.855 |
| Refractive Index: | 1.50000 to 1.50400 @ 20.00 °C. |
| Melting Point: | -51.00 to -50.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 212.00 to 215.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 128.00 to 129.00 °C. @ 50.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.177000 mmHg @ 25.00 °C. |
| Flash Point: | 203.00 °F. TCC ( 95.00 °C. ) |
| logP (o/w): | 1.960 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| ethyl alcohol, 5 vol. of 60% alcohol | |
| fixed oils | |
| kerosene | |
| paraffin oil | |
| propylene glycol | |
| water-alcohol mixtures: 30% 1:200, 35% 1:120 40% 1:70 50% 1:20 60% 1:5 | |
| water, 3100 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| glycerin | |
| Stability: | |
| non-discoloring in most media | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | fragrance perfuming agents solvents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash hands thoroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P321 - Specific treatment (see supplemental first aid instructions on this msds). P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 32 % solution: no skin irritation. | |
| Oral/Parenteral Toxicity: | |
| oral-rabbit LD50 2640 mg/kg (Graham & Kuizenga, 1945) gavage-rat LD50 [sex: M,F] 2490 mg/kg (Jenner et al., 1964) oral-rat LD50 3690 mg/kg (Graham & Kuizenga, 1945) oral-guinea pig LD50 2200 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985. oral-rat LD50 2490 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 2200 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 875, 1973. skin-cat LDLo 10000 mg/kg GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSBEHAVIORAL: MUSCLE WEAKNESSBEHAVIORAL: TREMOR Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. subcutaneous-guinea pig LDLo 3000 mg/kg Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. subcutaneous-rabbit LDLo 4000 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
| Inhalation Toxicity: | |
| inhalation-cat LC50 245 ppm/8H AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. inhalation-human TCLo 50 ppm BEHAVIORAL: ANTIPSYCHOTICLUNGS, THORAX, OR RESPIRATION: OTHER CHANGESKIDNEY, URETER, AND BLADDER: OTHER CHANGES "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961. inhalation-mouse TCLo 1300 mg/m3/22 BEHAVIORAL: GENERAL ANESTHETIC Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
| 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 benzyl acetate usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1200.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 850.00 (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: | - | 22.00000 | |
| beverages(nonalcoholic): | - | 7.80000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 760.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 14.00000 | |
| fruit ices: | - | 14.00000 | |
| gelatins / puddings: | - | 23.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 34.00000 | |
| 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 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted 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) (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 |
| 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 |
| ClinicalTrials.gov:search |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):140-11-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8785 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| benzyl acetate |
| Chemidplus:0000140114 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:140-11-4 |
| benzyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 140-11-4 |
| Pubchem (cid): | 8785 |
| Pubchem (sid): | 134974597 |
| Flavornet: | 140-11-4 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C15513 |
| HMDB (The Human Metabolome Database): | HMDB31310 |
| FooDB: | FDB003367 |
| Export Tariff Code: | 2915.39.1000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: free from chlorine grade which should have ester content of 97% but for which lower grade material is sometimes substituted; technical grade which is not free from chlorine & for which ester content varies considerably; "food chemicals codex". | |
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| acetic acid benzyl ester | |
| acetic acid benzylester | |
| acetic acid phenyl methyl ester | |
| acetic acid phenylmethyl ester | |
| acetic acid, benzyl ester | |
| acetic acid, phenylmethyl ester | |
| ( | acetoxymethyl)benzene |
| a- | acetoxytoluene |
| alpha- | acetoxytoluene |
| benteine | |
| benzenemethanol acetate | |
| benzenemethanol ethanoate | |
| nat. | benzyl acetate |
| benzyl acetate (natural) | |
| benzyl acetate 99%, (naturals) | |
| benzyl acetate extra | |
| benzyl acetate FCC | |
| benzyl acetate natural | |
| benzyl acetate natural, comores | |
| benzyl acetate puissiume FCC | |
| benzyl acetate, natural | |
| benzyl alcohol acetate | |
| benzyl ethanoate | |
| benzylacetate | |
| ethanoic acid phenylmethyl ester |
