3-Methylbutyric acid hexyl ester
Butanoic acid, 3-methyl-, hexyl ester
CAS: 10032-13-0
Molecular Formula: C11H22O2
3-Methylbutyric acid hexyl ester - Names and Identifiers
3-Methylbutyric acid hexyl ester - Physico-chemical Properties
| Molecular Formula | C11H22O2 |
| Molar Mass | 186.29 |
| Density | 0.857g/mLat 25°C(lit.) |
| Melting Point | -63.1°C (estimate) |
| Boling Point | 215°C(lit.) |
| Flash Point | 190°F |
| JECFA Number | 199 |
| Vapor Presure | 0.158mmHg at 25°C |
| Refractive Index | n20/D 1.419 |
| Physical and Chemical Properties | Colorless liquid. With a long-lasting black pepper-like aroma and strong fresh raw fruit aroma. Flash point 50 °c. Soluble in ethanol and most non-volatile oils, insoluble in water. Natural products are found in chives, peppermint oil, and the like. |
3-Methylbutyric acid hexyl ester - Risk and Safety
| WGK Germany | 2 |
| RTECS | EK7908500 |
3-Methylbutyric acid hexyl ester - Reference Information
| FEMA | 3500 | HEXYL ISOVALERATE |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| fragrance application | 2-methylbutyrate (n-) hexyl esters are naturally present in banana, peppermint oil, white wine, annona, nectarine, lamb skin paper. Sweet approximates the fruit taste of an unripe strawberry. |
| content analysis | gas chromatography analysis was performed on a polar column in GT-10-4. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drinks 18.7; Cold drinks 21.8; Candy 36.7; Baked goods 51.6; pudding 31.3; Gum 0.34; Alcohol 7.0. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies temporary use of flavorants. Mainly used for the preparation of non-spicy black pepper and spices flavor, as well as apples, bananas, pears, tropical fruits and other flavors. |
| production method | is obtained by esterification of N-hexanol with 2-methylbutyric acid. |
Last Update：2024-04-09 20:52:54
