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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 |
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| 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 |