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methyl benzoate
General Material Information
| Preferred name | methyl benzoate |
| Trivial Name | Methyl benzoate |
| Short Description | benzoic acid methyl ester |
| Formula | C8 H8 O2 |
| CAS Number | 93-58-3 |
| FEMA Number | 2683 |
| ECHA Number | 202-259-7 |
| FDA UNII | 6618K1VJ9T |
| Nikkaji Number | J9.149I |
| Beilstein Number | 1072099 |
| MDL | MFCD00008421 |
| COE Number | 260 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 851 methyl benzoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 93-58-3 ; METHYL BENZOATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| methyl benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 93-58-3 |
| Pubchem (cid): | 7150 |
| Pubchem (sid): | 134973004 |
| Flavornet: | 93-58-3 |
| 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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C20645 |
| HMDB (The Human Metabolome Database): | HMDB33968 |
| FooDB: | FDB012198 |
| Export Tariff Code: | 2916.31.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical, food chemicals codex •concn in final product: usual: soap 0.02%, detergent 0.002%, creams, lotions 0.01%, & perfume 0.08%; maximum: soap 0.10%, detergent 0.01%, creams, lotions 0.03%, & perfume 0.40%. •oxidate le 86% methyl benzoate •98% pure grades | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 136.15016174316 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.003 to 9.062 |
| Refractive Index | 1.513 to 1.52 @ 20 °C |
| Melting Point | -13 to -12°C @ 760 mm Hg |
| Boiling Point | 198 to 199°C @ 760 mm Hg |
| Boiling Point | 112 to 113°C @ 50 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.38 mmHg @ 25 °C |
| Vapor Density | 4.68 |
| Flash Point TCC Value | 83 °C TCC |
| logP (o/w) | 2.12 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| kerosene | Yes |
| paraffin oil, cloudy | Yes |
| water, 2100 mg/L @ 25 °C (exp) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Phenolic | |
| phenolic, wintergreen, almond, floral, cananga, chemical, cherry | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 1.00 % in dipropylene glycol. phenolic wintergreen almond floral cananga |
| Mosciano, Gerard P&F 19, No. 5, 79, (1994) | Chemical with a phenolic and cherry pit note |
| Flavor Type: Phenolic | |
| phenolic, cherry, camphoreous | |
| Mosciano, Gerard P&F 19, No. 5, 79, (1994) | At 30.00 ppm. Phenolic and cherry pit with a camphoraceous nuance |
| Useful in: brown nuts, vanilla, savory spices, fruity red, fruity yellow, fruity tropical, sweet others, alcoholics. | Medicinal-balsamic, in dilution slightly fruity |
| General comment | Medical-balsamic, in dilution slightly fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Bubble gum, Castoreum, Cherry, Clove, Cranberry, Floral, Gardenia, Geranium, Hay new mown hay, Huckleberry, Jasmin, Jonquil, Labdanum, Leather, Meadowsweet, Mint, Moss, Orange blossom, Pineapple, Raspberry, Rose, Strawberry, Tuberose, Vanilla, Vetiver, Wintergreen, Ylang ylang |
| Other purposes | Peau d'espagne |
| Cosmetic purposes | Perfuming agents, Preservatives, Skin conditioning |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 4), H302 Acute aquatic toxicity (Category 3), H402 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H302 - Harmful if swallowed H402 - Harmful to aquatic life H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rabbit LD50 2170 mg/kg (Graham & Kuizenga, 1945) gavage-guinea pig LD50 4100 mg/kg (Kravets-Bekker & Ivanova, 1970) oral-rat LD50 2170 mg/kg (Graham & Kuizenga, 1945) gavage-rat LD50 [sex: M,F] 1350 mg/kg (Jenner et al., 1964) gavage-mouse LD50 3330 mg/kg (Jenner et al., 1964) oral-guinea pig LD50 4100 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 937, 1974. oral-mouse LD50 3330 mg/kg BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 2170 mg/kg BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. oral-rat LD50 1177 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 18, Pg. 69, 1986. | |
| Dermal Toxicity: | |
| skin-cat LDLo 10000 mg/kg BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: MUSCLE WEAKNESS Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| cosmetic, 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": | |||
| 4.0000 % Recommendation. | |||
| Recommendation for methyl benzoate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 40.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 230.00 (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: | - | 9.90000 | |
| beverages(nonalcoholic): | - | 2.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 61.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.50000 | |
| fruit ices: | - | 4.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 8.40000 | |
| 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): |
| 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 |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):93-58-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7150 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| methyl benzoate |
| Chemidplus:0000093583 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:93-58-3 |