oxidate le
Methyl benzoate
CAS: 93-58-3
Molecular Formula: C8H8O2
oxidate le - Names and Identifiers
| Name | Methyl benzoate |
| Synonyms | clorius FEMA 2683 Niobe oil NIOBE OIL oxidate le oniobe oil Oil of niobe OIL OF NIOBE Methyl benzoate METHYL BENZOATE essence of niobe RARECHEM AL BF 0531 Benzoesαuremethylester LABOTEST-BB LT00786170 METHYL BENZENECARBOXYLATE Benzoic acid methyl ester methyl benzenecarboxylate |
| CAS | 93-58-3 |
| EINECS | 202-259-7 |
| InChI | InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
oxidate le - Physico-chemical Properties
| Molecular Formula | C8H8O2 |
| Molar Mass | 136.15 |
| Density | 1.088 g/mL at 20 °C (lit.) |
| Melting Point | -12 °C (lit.) |
| Boling Point | 198-199 °C (lit.) |
| Flash Point | 181°F |
| JECFA Number | 851 |
| Water Solubility | <0.1 g/100 mL at 22.5 ºC |
| Solubility | ethanol: soluble60%, clear (1mL/4ml) |
| Vapor Presure | <1 mm Hg ( 20 °C) |
| Vapor Density | 4.68 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 1.087～1.095 (20℃) |
| Color | Clear colorless to pale yellow |
| Merck | 14,6024 |
| BRN | 1072099 |
| Storage Condition | Store at +5°C to +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| Explosive Limit | 8.6-20%(V) |
| Refractive Index | n20/D 1.516(lit.) |
| Physical and Chemical Properties | Colorless oily liquid, with strong floral and cherry aroma. melting point -12.3 ℃ boiling point 199.6 ℃ relative density 1.0888 refractive index 1.5164 flash point 83 ℃ solubility miscible with ether, soluble in methanol, ether, insoluble in water and glycerol. |
| Use | For the preparation of flavor, also used as cellulose ester, cellulose ether, resin, rubber and other solvents |
oxidate le - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | 36 - Wear suitable protective clothing. |
| UN IDs | UN 2938 |
| WGK Germany | 1 |
| RTECS | DH3850000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Toxicity | LD50 orally in rats: 3.43 g/kg (Smyth) |
oxidate le - Nature
Open Data Verified Data
colorless oily liquid with strong floral and cherry aromas. The relative density was 1. 0888. Melting Point -12.3 °c. Boiling point 199.6 °c. Flash point 83. Refractive index 5164. The ignition temperature was 505 °c. Miscible with ether, soluble in methanol, ethanol, insoluble in water and glycerol.
Last Update：2024-01-02 23:10:35
oxidate le - Preparation Method
Open Data Verified Data
crude methyl benzoate was obtained by esterification of benzoic acid with methanol using sulfuric acid as catalyst. After recovery of methanol, neutralization, washing, distillation and refined products.
Last Update：2022-01-01 10:44:10
oxidate le - Use
Open Data Verified Data
food flavor, used to prepare strawberry, pineapple, cherry, rum and other flavors.
Last Update：2022-01-01 10:44:10
oxidate le - Safety
Open Data Verified Data
- This product is actually non-toxic. The oral LD50 of rats was 3.4g/kg.
- aluminum drum packaging. Store in a cool and ventilated place, pay attention to fire prevention. According to the provisions of flammable chemicals storage and transportation.
Last Update：2022-01-01 10:44:10
oxidate le - Reference Information
| FEMA | 2683 | METHYL BENZOATE |
| LogP | 2.12-2.2 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| flavor and fragrance | methyl benzoate is a commonly used aromatic carboxylic acid ester flavor and fragrance in the daily chemical industry in China, there is a strong aroma of flowers and fruit aroma, there are ylang ylang Yilan and Phyllanthus, and there is the breath of phenol, naturally occurring in ylang ylang ylang oil, Phyllanthus oil, clove oil, in essential oils such as longevity flower oil and water flower oil. methyl benzoate is a kind of edible flavor permitted by the regulations of China GB2760-1996, which can be used to prepare strawberry, raspberry, cherry, pineapple, aged, sweet wine, vanilla bean and nut flavor for food; it can also be used in the formula of daily chemical essence to prepare the perfume base of ylang ylang-ylang type and floral essence, and the dosage is within 12%. There are no restrictions on IFRA. methyl benzoate is recognized by FEMA as GRAS,FEMA No. 2683 and is approved by the FDA for consumption. The European Council lists methyl benzoate in the list of artificial flavors that can be used in foods that are harmless to human health, the highest dosage was 61mg/kg,ADI was 5 mg/kg. methyl benzoate is stable in air, but when there is an oxidant, it is slowly oxidized; It reacts with alkali and can be saponified to form benzoic acid solution; It is easy to carry out Ester exchange to prepare other benzoic acid esters; it is also susceptible to hydrolysis. According to the information provided by RIFM, acute toxicity data of methyl benzoate: oral LD50 3.4g/kg (rats). The conventional method is to prepare methyl benzoate by esterification of benzoic acid with methanol in the presence of sulfuric acid. Since methyl benzoate is a by-product of dimethyl terephthalate, which is an intermediate in the production of a high molecular material, it is possible to separate and obtain products meeting the flavor specifications from these crude methyl benzoate products. methyl benzoate can be used not only for the preparation of rose-type, crane-type and other flavors, can also be used as cellulose ester, cellulose ether, resin, rubber and other solvents; Used for hydrophobic polyester fiber dyeing, it can shorten the dyeing time, reduce the dyeing temperature and improve the fabric wash after dyeing. |
| assay | was determined by method one in the ester assay (OT-18). The amount of the sample was 900 mg. The equivalence factor (e) in the calculation is taken as 68.07. Or according to Gas chromatography (GT-10-4) non-polar column method. |
| toxicity | ADI 5 mg/kg(CE). LD50 1350mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 2.2; Cold drinks 4.5; Candy 8.4; Baked goods 9.9; pectin 61. Moderate limits (FDA § 172.515,2000). |
| Use | used as solvent for cellulose ester, cellulose ether, synthetic resin and rubber, used in the preparation of flavor used as a solvent in the microscopic analysis, also used as a solvent for cellulose GB 2760-1996 is specified as the allowed use of edible flavor. Mainly used in the preparation of strawberry, raspberry, pineapple, cherry, vanilla beans, nuts, rum and other flavors. It is a commonly used spice for the preparation of ylang ylang and tuberose. It is also used in the fragrance type of Cassia, lavender, clove and Spanish leather. It is used in combination with rock rose products, oak moss or tree moss products and stone grass oil to obtain pleasant flower fragrance. It can be used in inexpensive detergents, bad breath masking agents and industrial perfumes. It is also widely used for food flavors, such as strawberries. used in the preparation of flavor, also used as solvent of cellulose ester, cellulose ether, resin, rubber, etc. used in organic synthesis; Used as solvent of cellulose ester, cellulose ether, resin, rubber, etc; it is used as a spice, with strong aroma of wintergreen oil and carnanga oil. It is used to prepare artificial ylang-ylang oil for soap and cosmetics. |
| production method | hydrogen chloride gas was introduced into a methanol solution of benzoic acid. It is formed by the reaction of benzoic acid and dimethyl sulfate at high temperature. Derived from the Co-heating of benzoic acid with methanol in the presence of sulfuric acid. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1177 mg/kg; Oral-mouse LD50: 3330 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | high thermal explosion |
| flammability hazard characteristics | open flame flammability |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate from food and oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| spontaneous combustion temperature | 510°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:12
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