Articles:
Notes:
Gives good body. Present in various flower oils, banana, cherry, pimento berry, ceriman (Monstera deliciosa), clove bud and stem, mustard, coffee, black tea, dill, starfruit and cherimoya (Annona cherimola). Used in flavourings
It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study.; Methyl benzoate is an ester with the chemical formula C6H5COOCH3. It is formed by the condensation of methanol and benzoic acid. It is a colorless to slightly yellow liquid that is insoluble with water, but miscible with most organic solvents.
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | methyl benzoate | |
| CAS Number: | 93-58-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-259-7 | |
| FDA UNII: | 6618K1VJ9T | |
| Nikkaji Web: | J9.149I | |
| Beilstein Number: | 1072099 | |
| MDL: | MFCD00008421 | |
| FEMA Number: | 2683 | |
| CoE Number: | 260 | |
| XlogP3: | 2.10 (est) | |
| Molecular Weight: | 136.15016000 | |
| Formula: | C8 H8 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic, 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: | 851 methyl benzoate |
| Flavis Number: | 09.725 (Old) |
| DG SANTE Food Flavourings: | 09.725 methyl benzoate |
| DG SANTE Food Contact Materials: | methyl benzoate |
| FEMA Number: | 2683 methyl benzoate |
| FDA Mainterm: | METHYL 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 clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Halogens: | Chlorine free |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.08200 to 1.08900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.003 to 9.062 |
| Refractive Index: | 1.51300 to 1.52000 @ 20.00 °C. |
| Melting Point: | -13.00 to -12.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 198.00 to 199.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 112.00 to 113.00 °C. @ 50.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.380000 mmHg @ 25.00 °C. |
| Vapor Density: | 4.68 ( Air = 1 ) |
| Flash Point: | 181.00 °F. TCC ( 83.00 °C. ) |
| logP (o/w): | 2.120 |
| 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: | |
| alcohol | |
| fixed oils | |
| kerosene | |
| paraffin oil, cloudy | |
| water, 2100 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| non-discoloring in most media | |
Organoleptic Properties:
| Odor Type: | phenolic |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| Odor Description: at 1.00 % in dipropylene glycol. | phenolic wintergreen almond floral cananga |
| Substantivity: | 4 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents preservatives skin conditioning |
Safety 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. | |
| 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 | ||
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients.View pdf | |
| 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 |
| NLM Hazardous Substances Data Bank: | Search |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Env. Mutagen Info. Center: | 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 |
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 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C20645 |
| HMDB (The Human Metabolome Database): | HMDB33968 |
| FooDB: | FDB012198 |
| Export Tariff Code: | 2916.31.5000 |
| Haz-Map: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | 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 | |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| bubble gum | FR | |
| castoreum | FR | |
| cherry | FR | |
| clove | FR | |
| cranberry | FR | |
| floral | FR | |
| gardenia | FR | |
| geranium | FR | |
| hay new mown hay | FR | |
| huckleberry | FR | |
| jasmin | FR | |
| jonquil | FR | |
| labdanum | FR | |
| leather | FR | |
| meadowsweet | FR | |
| mint | FR | |
| moss | FR | |
| orange blossom | FR | |
| peau d'espagne | ||
| pineapple | FR | |
| raspberry | FR | |
| rose | FR | |
| strawberry | FR | |
| tuberose | FR | |
| vanilla | FR | |
| vetiver | FR | |
| wintergreen | FR | |
| ylang ylang | FR |
Occurrence (nature, food, other): note
| acacia absolute @ 0.09% Data GC Search PMC Picture | |
| allspice plant Search Trop Picture | |
| apple fruit Search Trop Picture | |
| betel leaf oil @ 2.33% Data GC Search Trop Picture | |
| bilberry fruit Search Trop Picture | |
| cananga oil china @ 2.70% Data GC Search Trop Picture | |
| cassia plant Search Trop Picture | |
| cassie absolute @ 0.09% Data GC Search Trop Picture | |
| champaca absolute @ 1.00% Data GC Search Trop Picture | |
| champaca concrete @ 5.00% Data GC Search Trop Picture | |
| clove bud Search Trop Picture | |
| clove fruit Search Trop Picture | |
| clove plant Search Trop Picture | |
| cranberry fruit Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| dill plant Search Trop Picture | |
| dill seed oil Search Trop Picture | |
| fig leaf Search Trop Picture | |
| gardenia Search Trop Picture | |
| hyacinthus orientalis absolute @ 0.09-0.10% Data GC Search Trop Picture | |
| jasmin absolute concrete egypt @ 0.14% Data GC Search Trop Picture | |
| jasmin sambac absolute egypt @ 0.30% Data GC Search Trop Picture | |
| jonquil Search Trop Picture | |
| kiwi fruit Search Trop Picture | |
| michelia alba flower absolute @ 0.11% Data GC Search Trop Picture | |
| michelia alba flower absolute @ 9.71% Data GC Search Trop Picture | |
| narcissus Search Trop Picture | |
| star fruit oil cuba @ 0.10% Data GC Search Trop Picture | |
| tuberose Search Trop Picture | |
| ylang ylang Search Trop Picture | |
| ylang ylang oil @ 6.50% Data GC Search Trop Picture | |
| ylang ylang oil CO2 extract @ 2.42% Data GC Search Trop Picture | |
| ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 3.35% Data GC Search Trop Picture | |
| ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.70% Data GC Search Trop Picture | |
| ylang ylang oil III @ 0.20% Data GC Search Trop Picture |
Synonyms:
| benzoic acid methyl ester | |
| clorius | |
| methyl benzene carboxylate | |
| methyl benzenecarboxylate | |
| o- | methyl benzoate |
| ortho- | methyl benzoate |
| methyl benzoate FCC | |
| methyl benzoate natural | |
| methyl benzoate pure | |
| methylbenzoate | |
| niobe oil |