Butanoicacid,cyclohexylester
cyclohexyl butyrate
CAS: 1551-44-6
Molecular Formula: C10H18O2
Butanoicacid,cyclohexylester - Names and Identifiers
| Name | cyclohexyl butyrate |
| Synonyms | cyclohexyl butyrate cyclohexylbutanoate Cyclohexyl butanoate cyclohexyl butanoate Cyclohexanyl butyrate Butanoic acid cyclohexyl butyricacidcyclohexylester butyricacid,cyclohexylester Butanoicacid,cyclohexylester Butyric acid cyclohexyl ester Butyric acid, cyclohexyl ester Cyclohexyl butyrate,(Butyric acid cyclohexyl ester) |
| CAS | 1551-44-6 |
| EINECS | 216-290-9 |
| InChI | InChI=1/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3 |
Butanoicacid,cyclohexylester - Physico-chemical Properties
| Molecular Formula | C10H18O2 |
| Molar Mass | 170.25 |
| Density | 0.943 g/mL at 25 °C (lit.) |
| Boling Point | 202-203 °C/700 mmHg (lit.) |
| Flash Point | 173°F |
| JECFA Number | 1094 |
| Vapor Presure | 0.152mmHg at 25°C |
| BRN | 2083414 |
| Refractive Index | n20/D 1.4425(lit.) |
| Physical and Chemical Properties | Colorless or microstrip yellow transparent liquid. Oil and Apple-like aroma. Soluble in ethanol and ether, almost insoluble in water. |
Butanoicacid,cyclohexylester - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | ES8915000 |
| TSCA | Yes |
Butanoicacid,cyclohexylester - Reference Information
| FEMA | 2351 | CYCLOHEXYL BUTYRATE |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| identification test | take 1ml of sample, add 5ml of 10% potassium hydroxide ethanol solution, install reflux condenser, and heat for 1H in water bath, the original aroma disappeared. After cooling, dilute sulfuric acid solution (TS-241) was added to make it acidic. When shaken in warm water, the special odor of butyric acid occurred. 0.2ml of sample was taken, 1ml of nitric acid was added, heated in a water bath for 20min, and then evaporated to dryness in a sand bath, but not carbonized. After cooling, 4ml of water and 0.5ml of sodium hydroxide solution (TS-244) were added to dissolve the solution, and then Diluted nitric acid solution (TS-158) was added to make the solution slightly acidic. When 1ml of silver nitrate solution (TS-210) was added, a white precipitate was formed. When dilute nitric acid is added to make it strongly acidic, the precipitate is dissolved. |
| assay | was determined by method one in the ester determination method (OT-18). The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 85.13. |
| toxicity | MLD 2.2-2.6g/kg (rabbit, oral). |
| usage limit | FEMA(mg/kg): soft drinks 3.9; Cold drinks 5.7; Candy 9.2; Baked goods 28; pudding 0.54. Moderate limits (FDA § 172.515;2000). |
| Use | flavor. Mainly used for the preparation of apple, banana, pineapple and grape flavor. |
| production method | from cyclohexanol and butyric acid in a small amount of concentrated sulfuric acid catalyzed by heating esterification, then neutralization, washing, after drying, it is obtained by distillation and purification. |
Last Update：2024-04-09 21:32:02
