Ethyl phenylethanoate
Ethyl phenylacetate
CAS: 101-97-3
Molecular Formula: C10H12O2
Ethyl phenylethanoate - Names and Identifiers
| Name | Ethyl phenylacetate |
| Synonyms | Ethyl phenacetate Ethyl alpha-toluate Ethyl phenylacetate ethyl2-phenylacetate Ethyl benzeneacetate Phenyl Ethyl Acetate ethyl 2-phenylacetate Ethyl phenylethanoate Ethyl 2-phenylethanoate Benzeneaciticacidethylester Phenylacetic acid ethyl ester Benzeneacetic acid, ethyl ester 5-Fluoro-4-Hydroxy-2-Mercaptopyrimidine |
| CAS | 101-97-3 |
| EINECS | 202-993-8 |
| InChI | InChI=1/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | DULCUDSUACXJJC-UHFFFAOYSA-N |
Ethyl phenylethanoate - Physico-chemical Properties
| Molecular Formula | C10H12O2 |
| Molar Mass | 164.2 |
| Density | 1.03g/mLat 25°C(lit.) |
| Melting Point | -29 °C |
| Boling Point | 229°C(lit.) |
| Flash Point | 172°F |
| JECFA Number | 1009 |
| Water Solubility | insoluble |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Vapor Presure | 22.7Pa at 20℃ |
| Appearance | neat |
| Color | Colourless |
| Merck | 14,3840 |
| BRN | 509140 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.497(lit.) |
| Physical and Chemical Properties | Characteristics of colorless or nearly colorless transparent liquid, strong and sweet aroma of honey. boiling point 229 ℃ relative density 1.0333 refractive index 1.4980 flash point 98 ℃ solubility insoluble in water, miscible with ethanol, ether and other organic solvents. |
| Use | Used as pesticide, pharmaceutical intermediates |
Ethyl phenylethanoate - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | AJ2824000 |
| TSCA | Yes |
| HS Code | 29163500 |
| Toxicity | The acute oral LD50 value in rats was reported as 3.30g/kg(2.52-4.08 g/kg) (Moreno,1973).The acute dermal LD50 in rabbits was reported as > 5g/kg(Moreno, 1973). |
Ethyl phenylethanoate - Reference Information
| FEMA | 2452 | ETHYL PHENYLACETATE |
| LogP | 2.36 at 22℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | approximately 1.0g of a sample was precisely weighed and then determined according to Method 2 of the ester determination method (OT-18). The equivalence factor (e) in the calculation is taken as 82.10. It is appropriate to use non-polar column method in GT-10-4 gas chromatography. |
| toxicity | LD503300mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 2.4; Cold drinks 5.2; Candy 8.1; Baked goods 6.0; syrup 24. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies temporary use of flavorants. Ethyl phenylacetate is mainly used for the preparation of honey, peach and tobacco and other flower flavor. A small amount is used in many types of fragrance, mainly used in medium and low grade white rose, sandalwood rose, lily of the valley, sweet bean flower, orange flower, honey aroma, Clover and some fat wax aroma. Can be widely used in tobacco and food flavor, is a good flavor of tobacco flavor. In honey flavor, cream, apricot, cherry, peach and other food flavor in the amount should be less. ethyl phenylacetate is a synthetic spice with remarkable Sweet and dense rose fragrance. A small amount of white rose and a small amount of orange flower, sweet bean and honey fruit are used in the essence of tobacco, soap and daily cosmetics. It is suitable for the grass essence of La La Habo. In the pharmaceutical industry the product is used for the production of barbiturates hypnotic Lumina, can also be used as a solvent. used as pesticide, pharmaceutical intermediate, solvent and fragrance adjuvant, also used in organic synthesis. |
| production method | is obtained by refluxing reaction of phenylacetonitrile, ethanol and sulfuric acid. Ethyl phenylacetate can also be prepared by refluxing and heating esterification of phenylacetic acid or Benzyl Cyanide with ethanol under the catalysis of sulfuric acid (or hydrochloric acid). The yield is 90%. Another method of production of phenylacetamide by hydrolysis, esterification and derived. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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