ChinaChemical Properties
| Product Name | Methyl benzoate |
| CAS No | 93-58-3 |
| EC-No | 202-259-7 |
| Min. Order | 1 g |
| Purity | 99% |
| Supply Ability | 100KG |
| Release date | 2019/07/06 |
AD68
| Methyl benzoate Basic information |
| Flavors and perfume Content Analysis Toxicity Limited use Chemical Properties Uses Production method Category Toxicity grading Acute toxicity Skin irritation data Explosive and hazardous characteristics Combustible property and hazard characteristics Storage characteristics Extinguishing Media |
| Product Name: | Methyl benzoate |
| Synonyms: | FEMA 2683;METHYL BENZENECARBOXYLATE;METHYL BENZOATE;LABOTEST-BB LT00786170;OIL OF NIOBE;NIOBE OIL;RARECHEM AL BF 0531;Benzoesαuremethylester |
| CAS: | 93-58-3 |
| MF: | C8H8O2 |
| MW: | 136.15 |
| EINECS: | 202-259-7 |
| Product Categories: | Organics;Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;M-N;AromaticsAnalytical Standards;EstersOther Lipid Related Products;Fatty AcidsAlphabetic;Lipid Analytical Standards;META - METHFA/FAME/Lipids/Steroids;Neats&Single Component Solutions;Analytical Standards;Chemical Class;FAMEs;M;C8 to C9;Carbonyl Compounds;Esters;Aspalathus linearis (Rooibos tea);Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb) |
| Mol File: | 93-58-3.mol |
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| Methyl benzoate Chemical Properties |
| Melting point | -12 °C |
| Boiling point | 198-199 °C(lit.) |
| density | 1.088 g/mL at 20 °C(lit.) |
| vapor density | 4.68 (vs air) |
| vapor pressure | <1 mm Hg ( 20 °C) |
| refractive index | n20/D 1.516(lit.) |
| FEMA | 2683 | METHYL BENZOATE |
| Fp | 181 °F |
| storage temp. | Store at +5°C to +30°C. |
| solubility | ethanol: soluble60%, clear (1mL/4ml) |
| form | Liquid |
| color | Clear colorless to pale yellow |
| explosive limit | 8.6-20%(V) |
| Water Solubility | <0.1 g/100 mL at 22.5 ºC |
| Merck | 14,6024 |
| BRN | 1072099 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| CAS DataBase Reference | 93-58-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, methyl ester(93-58-3) |
| EPA Substance Registry System | Benzoic acid, methyl ester(93-58-3) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 36 |
| RIDADR | UN 2938 |
| WGK Germany | 1 |
| RTECS | DH3850000 |
| TSCA | Yes |
| Hazardous Substances Data | 93-58-3(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 3.43 g/kg (Smyth) |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Methyl benzoate Usage And Synthesis |
| Flavors and perfume | Methyl benzoate is a commonly used aromatic carboxylic acid esters, flavors, and fragrances in daily chemical industry of China with strong floral, fruity aroma and ylang and tuberose like nuances as well as phenol breath. It is naturally presented in ylang oil, tuberose oil, clove oil, oil of Kalanchoe and daffodils oil and some other kinds of essential oils. Methyl benzoate is the food flavors allowed by the provision of the GB2760-1996 of China and can be used for modulation of strawberry, raspberry, cherry, pineapple, rum, vanilla beans and nuts flavor and some other kinds of flavor essence; it can be applied to food and can also be applied to daily flavor formulations for the preparation the base of ylang type and flower flavor type incense with the amount being less than 12%. There is no restriction in IFRA. Methyl benzoate was identified as GRAS by FEMA with the FEMA number being 2683 and approved by the FDA for human administration. The Council of Europe has listed methyl benzoate into the table of artificial flavor which can be used for food and is harmless to the human health with the maximum amount being 61 mg/kg and ADI being 5 mg/kg. Methyl benzoate is stable in air and can be slowly oxidized in the presence of an oxidizing agent; it can react with base and can subject to saponification with generating benzonic acid. It can also have transesterification to prepare other kinds of benzoates; it is also susceptible to hydrolysis. According to the information provided by RIFM, the acute toxicity data of methyl benzoate: oral LD50: 3.4g/kg (rats). The traditional method is based on the esterfication of the benzoate and methanol in the presence of sulfuric acid for generating methyl benzoate. Since the methyl benzoate is the intermediate in the production of polymer material-the by-product of dimethyl terephthalate. Therefore, we can try to isolate and obtain the product which can meet the perfumer specification from the crude methyl benzoate. Methyl benzoate can not only be used for the preparation of rosette, geranium type and other flavors but also be used as the solvents of cellulose esters, cellulose ether, resins and rubber; it can also be used for the fiber dyeing of hydrophobic polyester and can shorten the dyeing time, reduce the dyeing temperature and improve the degree of wash fastness after dyeing fabric. The above information is edited by the chemicalbook of Dai Xiongfeng. |
| Content Analysis | Measure it according to the method 1 in the ester assay (OT-18). The amount of the taken sample is 900 mg. Take 68.08 as the equivalency factors for calculation or measure it according to the non-polar column method according to the gas chromatography (GT-10-4) method. |
| Toxicity | ADI: 5mg/kg (CE). LD50: 1350mg/kg (rat, oral). |
| Limited use | FEMA (mg/kg): Soft drinks 2.2; cold drink 4.5; candy 8.4; Bakery 9.9; Gum: 61. Take appropriate amount as limit (FDA§172.515, 2000); |
| Chemical Properties | It is colorless oily liquid with strong floral and cherry aromas. It is miscible with ethyl ether, soluble in methanol, ethyl ether but insoluble in water and glycerol. |
| Uses | It can be used as the solvents of cellulose esters, cellulose ethers, synthetic resins and rubber as well as the dyeing auxiliary agent of polyester fiber. It can be used for the preparation of flavors. It can be used as the solvent in the microscopic analysis as well as the solvent for cellulose. GB 2760-1996 provides it as allowable food flavors. It can be mainly used for the preparation of strawberry, raspberry, pineapple, cherry, vanilla beans, nuts and rum flavor. It is commonly used spices for formulating ylang, tuberose scent type. It can also be applied to daffodils, lavender, clove and savory type of Spanish leather. Being used in combination with rock rose product, oak moss or tree moss as well as vetiver oil, it can be used for preparing fern type to achieve pleasant scent. IT can be applied to inexpensive detergent, bad-smell masking agents as well as industrial flavor. It can also be widely applied to food flavors such as strawberry type and so on. For flavor preparation, it is also used as a cellulose ester, cellulose ether solvent, resin, rubber, etc. It can be used for organic synthesis; for the solvents of cellulose esters, cellulose ether, resin, rubber and so on; it can also be used as spice with rich aroma of wintergreen oil and cananga oil. It can be used for preparation of soap and cosmetics-purpose artificial ylang oil and sesame oil; it can also be used as food flavor for the preparation of strawberry, pineapple, cherries and rum. |
| Production method | Put through the hydrogen chloride gas into the methanol solution of the benzoic acid. It can be produced through the reaction of benzoic acid and dimethyl sulfate at elevated temperatures. It can be produced from the co-heating between benzoic acid and methanol in the presence of sulfuric acid. |
| Category | Toxic substances. |
| Toxicity grading | Poisoning |
| Acute toxicity | Oral-rat-LD50: 1177 mg/kg; Oral-Mouse LD50: 3330 mg/kg. |
| Skin irritation data | Rabbit 10 mg/24 hr Mild; Eyes-rabbit 500 mg/24 hr mild. |
| Explosive and hazardous characteristics | High-temperature, explosive. |
| Combustible property and hazard characteristics | Combustible upon fire. |
| Chemical Properties | colourless to light yellow fragrant liquid |
| Storage characteristics | Treasury: ventilation, low-temperature and dry; store and transport it separately from food and oxidant. |
| Definition | ChEBI: A benzoate ester obtained by condensation of benzoic acid and methanol. |
| Uses | In perfumes (Peau d'Espagne). |
| Extinguishing Media | Foam, dry powder, carbon dioxide. |
| General Description | A crystalline solid or a solid dissolved in a liquid. Denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be slightly toxic by ingestion. Used to make other chemicals. |
| Air & Water Reactions | Slightly soluble in water. Hydrolyzes slowly in contact with water . |
| Reactivity Profile | Methyl benzoate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Methyl benzoate reacts with strong oxidizing agents and strong bases and hydrolyzes slowly in contact with water. . |
| Hazard | Toxic by ingestion. |
| Health Hazard | Irritating to the eyes, nose, throat, upper respiratory tract, and skin. May cause allegic skin and respiratory reactions. |
| Fire Hazard | Special Hazards of Combustion Products: None |
| Purification Methods | Wash the ester with dilute aqueous NaHCO3, then water, dry with Na2SO4 and fractionally distil it in a vacuum. [Beilstein 9 IV 283.] |
Company Profile Introduction
Established in 2014,Career Henan Chemical Co. is a manufacturerspecializing in the sale of fine chemicals. Mainly deals in the sales of: Pharmaceutical intermediates OLED intermediates： Pharmaceutical intermediates; OLED intermediates;
