FEMA 2733
Methyl phenylacetate
CAS: 101-41-7
Molecular Formula: C9H10O2
FEMA 2733 - Names and Identifiers
| Name | Methyl phenylacetate |
| Synonyms | FEMA 2733 METHYL A-TOLUATE Methyl alpha-toluate Methyl phenylacetate METHYL PHENYLACETATE METHYL BENZYLFORMATE METHYL ALPHA-TOLUATE Phenylacetic acid methyl ester Phenylacetic Acid Phenylacetate Acetic acid, phenyl-, methyl ester 2,5-Bis-(2,2,2-Trifluoroethoxy) Benzoic Acid |
| CAS | 101-41-7 |
| EINECS | 202-940-9 |
| InChI | InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | CRZQGDNQQAALAY-UHFFFAOYSA-N |
FEMA 2733 - Physico-chemical Properties
| Molecular Formula | C9H10O2 |
| Molar Mass | 150.17 |
| Density | 1.066 g/mL at 20 °C (lit.) |
| Melting Point | 107-115 °C |
| Boling Point | 218 °C (lit.) |
| Flash Point | 195°F |
| JECFA Number | 1008 |
| Water Solubility | Miscible with water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 16.9-75Pa at 20℃ |
| Appearance | neat |
| Color | Colourless |
| Merck | 14,7268 |
| BRN | 878795 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Refractive Index | n20/D 1.503(lit.) |
| Physical and Chemical Properties | Characteristics of colorless liquid, honey-like flavor. boiling point 218 ℃ relative density 1.0633 refractive index 1.5075 solubility: miscible with ethanol and ether, soluble in acetone, insoluble in water. |
| Use | Used as a spice, for the preparation of honey, chocolate, tobacco and other types of flavor |
FEMA 2733 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R21 - Harmful in contact with skin |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | AJ3175000 |
| TSCA | Yes |
| HS Code | 29163500 |
| Toxicity | The acute oral LD50 in rats was reported as 2.55 g/kg (1.67-3.43 g/kg) and the acute dermal LD50 in rabbits as 2.4 g/kg (0.15-4.7 g/kg) (Moreno, 1974). |
FEMA 2733 - Upstream Downstream Industry
| Raw Materials | Phenylacetonitrile Phenylacetonitrile Methyl alcohol Methyl alcohol Sulfuric acid Sulfuric acid |
FEMA 2733 - Reference Information
| FEMA | 2733 | METHYL PHENYLACETATE |
| LogP | 1.91-2.09 at 21.9-25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | colorless liquid. Aroma: Strong, sweet and delicate honey-like fragrance. Relative density (water = 1):1.061-1.069. Solubility: miscible with ethanol and ether, soluble in acetone, insoluble in water. |
| application | methyl phenylacetate is used in the formulation of edible flavors, and is used to prepare honey, chocolate, tobacco and other flavors; it can also be used in daily chemical flavors, Used to prepare roses, oriental flavors and other flavors. IFRA has no restrictions. |
| content analysis | determined by method 1 in ester determination method (OT-18). The amount of sample taken is 1g. The equivalent factor (e) in the calculation is 75.09. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | ADI has not yet been specified (FAO/WHO,1994). LD502550 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 3.9; Cold drink 2.5; Candy 13; Baked food 12; Pudding 0.10; Gum sugar 11; Syrup 37. Moderate limit (FDA § 172.515,2000). |
| Use | Used as a spice to prepare honey, chocolate, tobacco and other flavors Methyl phenylacetate is used as a reagent for the synthesis of various organic reactions, one of which is the synthesis of methyl occipital acid; a lichen metabolite with anti-inflammatory properties. Methyl phenylacetate has a honey-like sweetness and a slight musk aroma. It is often used to prepare floral flavors, such as roses, wild rose and other flavors, tobacco and soap. The product is also used in organic synthesis and the manufacture of drugs atropine and anisodamine (synthesis method). |
| production method | obtained by hydrolysis and esterification of phenylacetonitrile. Add methanol into a dry glass-lined reaction pot, stir and cool to below 30 ℃, add sulfuric acid dropwise, raise the temperature to 90 ℃ after adding, start adding phenylacetonitrile dropwise, control the temperature at about 95 ℃, and add it in 1.5h. After reacting at 95-100 ℃ for 6h, cool to below 40 ℃, add water equivalent to about 0.6 times of the reaction solution to dilute. Statically separate acid water, add sodium carbonate saturated solution for neutralization, washing, and discard the water layer. Dehydration with anhydrous calcium chloride and fractionation under reduced pressure to obtain methyl phenylacetate with 80% yield. Another preparation method is to pass hydrogen chloride, anhydrous methanol and water under reflux to saturation, place for 2-3h, and heat for 1h to produce the product. It is made by methyl esterification of phenylacetic acid or phenylacetonitrile. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:05
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Raw Materials for FEMA 2733