Isoamyl Butyrate Iso
Isoamyl n-Butyrate
CAS: 106-27-4
Molecular Formula: C9H18O2
Isoamyl Butyrate Iso - Names and Identifiers
| 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 |
Isoamyl Butyrate Iso - Physico-chemical Properties
| 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 |
Isoamyl Butyrate Iso - Risk and Safety
| 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 |
Isoamyl Butyrate Iso - Nature
Open Data Verified Data
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.
Last Update：2024-01-02 23:10:35
Isoamyl Butyrate Iso - Preparation Method
Open Data Verified Data
obtained by esterification of isoamyl alcohol with butyric acid, neutralization, washing and drying.
Last Update：2022-01-01 10:07:08
Isoamyl Butyrate Iso - Introduction
It has the fragrance of pear. Soluble in ethanol, ether, most non-volatile oils and mineral oils, insoluble in propylene glycol, water and glycerin, slightly soluble in water.
Last Update：2022-10-16 17:11:46
Isoamyl Butyrate Iso - Use
Open Data Verified Data
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.
Last Update：2022-01-01 10:07:08
Isoamyl Butyrate Iso - Reference Information
| FEMA | 2060 | ISOAMYL BUTYRATE |
| LogP | 3.99 at 22.4℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by method 1 in ester determination method (OT-18). The sample amount is 1g. The equivalent factor (e) in the calculation is 79.12. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | Adl 0~3(FAO/WHO,1994). LD5012210 mg/kg (rat, oral). |
| use limit | FEMA(mg/kg): soft drink 13; Cold drink 34; Candy 79; Baked food 51; Pudding 60; Gum candy 570. Moderate limit (FDA § 172.515,2000). |
| use | isoamyl butyrate is a edible spice allowed in our country. it is often used to prepare fruit-flavored edible flavors such as apples and bananas and to flavor rum. the dosage is 570 mg/kg in chewing gum according to normal production requirements. 79 mg/kg in candy; 5lmg/kg in baked food; 34 mg/kg in cold drinks; 13mg/kg in soft drinks. GB 2760-96 stipulates edible spices that are allowed to be used. Mainly used to prepare bananas, pineapples, apricots, cherries and assorted fruits. It is widely used to prepare various fruit juice flavors, such as apricot, banana, pear, apple and other flavors solvents. Organic synthesis. |
| Production method | It is obtained by heating esterification of isoamyl alcohol and n-butyric acid in the presence of concentrated sulfuric acid or Twitchell reagent and fractionation refining. heteropolytungstic acid catalytic method: add 0.121mol isoamyl alcohol and 0.1lmol butyric acid, 0.15g heteropolytungstic acid, 5mL benzene and zeolite into a 100mL flask, and refluxing at 122~132 ℃ for 1.5h to obtain the finished product, and the esterification rate can reach 97.8%. Sulfuric acid catalytic method successively added isoamyl alcohol, butyric acid and sulfuric acid into the reaction kettle, heating reflux reaction for several hours. After cooling, it is neutralized with 10% NaOH solution, then washed to neutral with water, and finally dried with anhydrous calcium chloride and distilled under reduced pressure to obtain the product. C3H7COOH+(CH3)2CHCH2CH2OH[H2SO4]→C3H7COOCH2CH2CH(CH3)2+H2O |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | reference value abdominal cavity-rat 2300 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours moderate |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke |
| storage and transportation characteristics | complete packaging, light loading and unloading; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand |
Last Update：2024-04-09 15:16:46
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