2050-08-0
pentyl salicylate
CAS: 2050-08-0
Molecular Formula: C12H16O3
2050-08-0 - Names and Identifiers
| Name | pentyl salicylate |
| Synonyms | Amyl Salicylate pentyl salicylate Pentyl-o-hydroxybenzoate salicylicacidpentylester pentyl 2-hydroxybenzoate salicylicacid,pentylester n-Pentyl-2-hydroxybenzoate Pentyl 2-hydroxybenzoate Salicylic acid, amyl ester amylesterkyselinysalicylove Salicylic acid, pentyl ester 3-methylbutyl 2-hydroxybenzoate Benzoicacid,2-hydroxy-,pentylester Benzoic acid, 2-hydroxy-, pentyl ester |
| CAS | 2050-08-0 |
| EINECS | 218-080-2 |
| InChI | InChI=1/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3 |
2050-08-0 - Physico-chemical Properties
| Molecular Formula | C12H16O3 |
| Molar Mass | 208.25 |
| Density | 1.056 |
| Boling Point | 270°C |
| Flash Point | 113.3°C |
| Water Solubility | 5.5mg/L at 20℃ |
| Vapor Presure | 0.24Pa at 20℃ |
| BRN | 2577253 |
| pKa | 8.16±0.30(Predicted) |
| Storage Condition | -20°C |
| Refractive Index | 1.512 |
| Physical and Chemical Properties | Density 1.056 boiling point 270°C refractive index 1.512 |
2050-08-0 - Risk and Safety
| UN IDs | UN 3082 9 / PGIII |
| RTECS | VO5425000 |
2050-08-0 - Nature
Open Data Verified Data
colorless transparent liquid, with sesame flavor. The relative density was 1. 2614. Boiling Point (1.6kPa)173. Insoluble in water, soluble in ether, acetic acid, soluble in ethanol, acetone, benzene, carbon tetrachloride and other organic solvents.
Last Update：2024-01-02 23:10:35
2050-08-0 - Preparation Method
Open Data Verified Data
The esterification reaction of salicylic acid and amyl alcohol was carried out under the catalysis of sulfuric acid to form amyl salicylate. After neutralization, washing, distillation and distillation to obtain the finished product.
Last Update：2022-01-01 10:44:12
2050-08-0 - Use
Open Data Verified Data
raw materials for organic synthesis. Also used as soap flavor and solvent.
Last Update：2022-01-01 10:44:11
2050-08-0 - Safety
Open Data Verified Data
- This product has a certain toxicity, has a stimulating effect on the gastrointestinal tract. The LD50 for intravenous injection in dogs was 500-800mg/kg. The workplace should be well ventilated and the equipment should be closed. The operator should wear protective gear.
- galvanized iron drum packaging. Store in a cool and ventilated place, pay attention to fire prevention. According to the provisions of flammable and toxic chemicals storage and transportation.
Last Update：2022-01-01 10:44:12
2050-08-0 - Reference Information
| FEMA | 2084 | ISOAMYL SALICYLATE |
| LogP | 4.4 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| uses | salicylic acid esters have many varieties of spices, of which the most commonly used are methyl salicylate, isoamyl salicylate, benzyl salicylate. The content of methyl salicylate in birch bark oil is up to 96%, in addition in essential oils such as cinnamon oil, ylang oil, violet oil, tuberose oil and so on, however, the inclusion of other salicylates in essential oils has not been reported. Isoamyl salicylate is the most important species of amyl ester, which is the main agent for blending Clover essence. In the preparation of Carnation flavor, it is used as a multi-tone agent and fixative. It can be well blended with oak moss extract, perilla oil, geraniol, etc. This product is a raw material for organic synthesis. Also used as soap flavor and solvent. |
| production method | prepared by reaction of salicylic acid in the presence of sulfuric acid. In the presence of sulfuric acid, salicylic acid dissolved in isoamyl alcohol is reacted by heating, the isoamyl alcohol formed from the reaction and remaining is distilled off, and the isoamyl alcohol after removal of water is returned to the reaction. After completion of the reaction, the resulting product was washed with water and sodium carbonate solution to remove salicylic acid. An aqueous solution of salicylate is acidified to precipitate salicylic acid, which can be reused in the reaction. The crude isoamyl salicylate was subjected to vacuum distillation. In order to improve the flavor quality, impurities may be removed by steam evaporation in advance. The yield of isoamyl salicylate was 80%. |
Last Update：2024-04-09 20:45:29
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