Name | Isoamyl n-Butyrate |
Synonyms | 3-methylbutyl dinsuanyiwuzhi Isopentylbutyate Isoamyl butyrate Isoamyl-n-butyrate isopentyl butyrate Isoamyl n-Butyrate Isoamyl Butyrate Iso 3-methylbutyl butanoate 3-methyl-1-butylbutanoate Natural Isoamyl Butyrate butanoicacid3-methylbutylester Butanoicacid,3-methylbutylester Butanoic acid, 3-methylbutyl ester |
CAS | 106-27-4 |
EINECS | 203-380-8 |
InChI | InChI=1/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3 |
InChIKey | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
Molecular Formula | C9H18O2 |
Molar Mass | 158.24 |
Density | 0.862 g/mL at 25 °C (lit.) |
Melting Point | -73 °C |
Boling Point | 184-185 °C (lit.) |
Flash Point | 136°F |
JECFA Number | 45 |
Water Solubility | 184.7mg/L at 20℃ |
Solubility | 0.5g/l |
Vapor Presure | 1.1 hPa (20 °C) |
Vapor Density | 5.45 (vs air) |
Appearance | neat |
Specific Gravity | 0.866 (20/4℃) |
Color | Colorless to Almost colorless |
Merck | 14,5115 |
Storage Condition | Store below +30°C. |
Refractive Index | n20/D 1.411(lit.) |
MDL | MFCD00044888 |
Physical and Chemical Properties | Colorless or yellowish transparent liquid. It has a strong aromatic odor of banana and pear. melting point -73.2 ℃ boiling point 168.9 ℃ relative density 0.8627 refractive index 1.4110 soluble in ethanol, ether and other organic solvents. Almost insoluble in water, propylene glycol, glycerol. |
Use | Widely used in the preparation of a variety of fruit juice flavor, such as apricot, banana, pear, apple and other flavor |
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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes. |
UN IDs | UN 3272 3/PG 3 |
WGK Germany | 1 |
RTECS | ET5034000 |
TSCA | Yes |
HS Code | 29156019 |
Hazard Class | 3 |
Packing Group | III |
Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
colorless or yellowish transparent liquid with the aroma of banana and pear. Soluble in ethanol (25 ℃, 1 1 4 dissolved in 70% ethanol), ether and other organic solvents, slightly soluble in water, glycerol and propylene glycol.
obtained by esterification of isoamyl alcohol with butyric acid, neutralization, washing and drying.
isoamyl butyrate is the edible flavor allowed to be used in China. It can be used to prepare apple, banana and other fruit flavor and flavor of rum, and the dosage is according to the needs of normal production. Generally, it is 570mg/kg in chewing gum; 79 mg/kg in candy; 51mg/kg in baked food; 34mg/kg in cold drinks and 13mg/kg in soft drinks.