Molecular Formula | C7H12O2 |
Molar Mass | 128.17 |
Density | 0.902 g/mL at 25 °C (lit.) |
Melting Point | -62.68°C (estimate) |
Boling Point | 44-45 °C/15 mmHg (lit.) |
Flash Point | 107°F |
JECFA Number | 2 |
Water Solubility | 1.233g/L at 25℃ |
Vapor Presure | 13.332hPa at 39.67℃ |
Storage Condition | 2-8°C |
Refractive Index | n20/D 1.414(lit.) |
Physical and Chemical Properties | Colorless liquid with peach and apricot-like aroma. Soluble in ethanol and grease, insoluble in water. Boiling point 154~155 ℃, or 44~45 ℃ (2000Pa), flash point 42 ℃. Not found in nature. |
Hazard Symbols | Xn - Harmful |
Risk Codes | R10 - Flammable R21/22 - Harmful in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
UN IDs | UN 1992 3/PG 3 |
WGK Germany | 3 |
RTECS | ES5775000 |
HS Code | 2915600000 |
Hazard Class | 3.2 |
Packing Group | III |
FEMA | 2021 | ALLYL BUTYRATE |
LogP | 2.2 |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
assay | determined by gas chromatography (GT-10-4). |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): Soft drink 1.2; Cold drink 0.5~1.0; Candy 1.3; baked goods: 0.50~3.0; Pudding 1.0. FDA,§ 172.515: limited to the appropriate amount. |
Use | flavorant. Mainly used for the preparation of peach and apricot flavor. |
production method | is obtained by esterification of allyl alcohol with butyric acid in the presence of concentrated sulfuric acid or with P-toluenesulfonic acid in benzene. |
category | flammable liquid |
toxicity grade | high toxicity |
Acute toxicity | oral-rat LD50: 250 mg/kg |
stimulation data | Skin-rabbit 500 mg/24 h moderate |
flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant; It is not suitable for long storage, to prevent aggregation |
extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |