87-22-9
Phenylethyl salicylate
CAS: 87-22-9
Molecular Formula: C15H14O3
87-22-9 - Names and Identifiers
| Name | Phenylethyl salicylate |
| Synonyms | 87-22-9 FEMA 2868 Phenyl ethyl salicyl Phenylethyl salicylate 2-Phenylethyl salicylate B-PHENYLETHYL SALICYLATE BETA PHENYL ETHYL SALICYLATE .beta.-Phenylethyl salicylate 2-phenylethyl 2-hydroxybenzoate Salicylic acid, phenethyl ester Salicylic acid, phenethyl ester (8CI) 2-hydroxy-benzoicaci2-phenylethylester Benzoicacid,2-hydroxy-,2-phenylethylester Benzoic acid, 2-hydroxy-, 2-phenylethyl ester |
| CAS | 87-22-9 |
| EINECS | 201-732-5 |
| InChI | InChI=1/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2 |
87-22-9 - Physico-chemical Properties
| Molecular Formula | C15H14O3 |
| Molar Mass | 242.27 |
| Density | 1.154g/mLat 25°C(lit.) |
| Melting Point | 39-41°C(lit.) |
| Boling Point | 370°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 905 |
| Water Solubility | 7.85mg/L at 25℃ |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.13Pa at 25℃ |
| Appearance | powder to lump |
| Color | White to Almost white |
| pKa | 8.09±0.30(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | 1.5570 (estimate) |
| MDL | MFCD00020036 |
| Physical and Chemical Properties | White crystals. Clove and Balsam-like aroma. Highly diluted (<5 mg/kg), honey and plum sweet flavor. The freezing point was 41.5 °c. Soluble in ethanol and oil, insoluble in water. |
| Use | It can be used for blending apricot, lily and peach essence. |
87-22-9 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system 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 |
| Hazard Class | IRRITANT |
87-22-9 - Introduction
Rose, hyacinth, carnation-like aroma.
Last Update：2022-10-16 17:29:27
87-22-9 - Reference Information
| FEMA | 2868 | PHENETHYL SALICYLATE |
| LogP | 4.6 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester assay (OT-18). The amount of the sample was 1.5g. The equivalence factor (e) in the calculation is taken as 121.2. The indicator was changed to phenol red test solution (TS-166). Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 0.75; Cold drink 0.67; Candy 1.5; Baked goods 2.0. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies the permitted use of flavorants. Mainly used in the preparation of peach, apricot and honey flavor. It is also used as a fragrance coordinating agent and fixative. |
| production method | consists of the exchange of phenylethyl alcohol and methyl salicylate. It is obtained by esterification of phenethyl alcohol and salicylic acid. |
Last Update：2024-04-09 02:00:12
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