2-Phenylethyl phenyl acetate
phenethyl phenylacetate
CAS: 102-20-5
Molecular Formula: C16H16O2
2-Phenylethyl phenyl acetate - Names and Identifiers
| Name | phenethyl phenylacetate |
| Synonyms | Phenethylphenylacetat PHENYLETHYLPHENYLACETAT 2-Phenylethyl α-toluate phenethyl phenylacetate Benzylcarbinyl α-toluate Benzylcarbinyl a-toluate Phenylethyl phenylacetate 2-Phenethyl phenylacetate FENILACETATO DE FENILETILO 2-Phenylethyl alpha-toluate 2-phenylethyl phenylacetate Benzylcarbinyl alpha-toluate 2-Phenylethyl phenyl acetate 2-Phenylethyl 2-phenylacetate Benzylcarbinyl phenyl acetate Phenylacetic acid phenyl ethyl ester |
| CAS | 102-20-5 |
| EINECS | 203-013-1 |
| InChI | InChI=1/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2 |
2-Phenylethyl phenyl acetate - Physico-chemical Properties
| Molecular Formula | C16H16O2 |
| Molar Mass | 240.3 |
| Density | 1.082g/mLat 25°C(lit.) |
| Melting Point | 28°C(lit.) |
| Boling Point | 325°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 999 |
| Water Solubility | 15.56-22mg/L at 20-22℃ |
| Solubility | 1g/L in organic solvents at 20 ℃ |
| Vapor Presure | 0.025-8Pa at 20-25℃ |
| Appearance | powder to lump to clear liquid |
| Color | Colorless to sltly yellow liquid |
| Odor | rosy, hyacinth odor |
| pKa | 0[at 20 ℃] |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.55(lit.) |
| MDL | MFCD00022049 |
| Physical and Chemical Properties | Traits below 26 ℃ for white crystals, 26 ℃ for colorless to light yellow liquid. With Rose, Sea Flower, honey-like sweet aroma and sweet fruit flavor. melting point 26.5 ℃ boiling point 177~178 ℃ relative density 1.082g/cm3 solubility insoluble in water, soluble in ethanol. |
| Use | Used as fixative, for the preparation of honey, cherry, almond and other flavor |
2-Phenylethyl phenyl acetate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | AJ3255000 |
| HS Code | 29163990 |
| Toxicity | LD50 orl-rat: 15 g/kg FCTXAV 2,327,64 |
2-Phenylethyl phenyl acetate - Reference Information
| FEMA | 2866 | PHENETHYL PHENYLACETATE |
| LogP | 3.8-3.827 at 25-35℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | phenyl ethyl acetate is a white crystal below 26 ℃, and a colorless to light yellow liquid above 26 ℃. |
| Use | Ethyl phenylacetate is used as a fixative. The aroma is long-lasting and stable. It is very good for roses, hyacinth, narcissus, daffodils, lilacs, lilac, lily of the valley, jasmine, sweet bean flower, bodhi, primrose or honey fragrance. Suitable for soap essence. It can be used as a fixer for floral, delicate, ointment, wood, sweet, smoke and oriental fragrance, which will give musk fragrance. It is also commonly used in edible flavors such as honey and almonds. It is used as a fixer to prepare honey, cherry, almond and other flavors The aroma is long-lasting and stable, and it is used for roses, hyacinths, narcissus, daffodils, lilac, lilac, lily of the valley, jasmine, sweet bean flower, bodhi, primrose or honey and other flavors. Suitable for soap essence. It can be used as a fixer for floral, delicate, ointment, wood, sweet, smoke and oriental fragrance, which will give musk fragrance. It is also commonly used in edible flavors such as honey and almonds. GB 2760-1996 provisions are allowed to use spices. Mainly used to prepare honey, cherry, almond and other flavors. |
| content analysis | determined by method 1 in ester determination method (OT-18). The sample amount taken is 1.5g. The equivalent factor (e) in the calculation is 102.2. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA). LD50 3190mg/kg (mouse, oral). |
| usage limit | FEMA(mg/kg): soft drink 2.3; Cold drink 4.2; Candy 4.8; Baked food 5.3; Maras golden cherry 10. Moderate limit (FDA § 172.515,1994). |
| Preparation method | It is prepared by direct esterification of phenylacetic acid and phenylethanol under sulfuric acid catalysis; |
| Production method | It is made by esterification of phenylacetic acid and phenylethanol in the presence of sulfuric acid; it can also be directly esterified in the presence of hydrogen chloride gas. |
Last Update：2024-04-09 02:00:05
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