HEXANOIC ACID ISOBUTYL ESTER
isobutyl caproate
CAS: 105-79-3
Molecular Formula: C10H20O2
HEXANOIC ACID ISOBUTYL ESTER - Names and Identifiers
| Name | isobutyl caproate |
| Synonyms | FEMA 2202 isobutyl caproate ISOBUTYL CAPROATE Isobutyl hexanoate ISOBUTYL HEXANOATE BUTYL ISO, CAPROATE ISOBUTYL N-HEXANOATE BUTYL ISO, HEXANOATE 2-methylpropyl hexanoate 2-Methyl-1-propyl caproate HEXANOIC ACID ISOBUTYL ESTER n-Caproic acid isobutyl ester N-HEXANOIC ACID ISOBUTYL ESTER |
| CAS | 105-79-3 |
| EINECS | 203-332-6 |
| InChI | InChI=1/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 |
HEXANOIC ACID ISOBUTYL ESTER - Physico-chemical Properties
| Molecular Formula | C10H20O2 |
| Molar Mass | 172.26 |
| Density | 0.856 g/mL at 25 °C (lit.) |
| Melting Point | -64.3°C (estimate) |
| Boling Point | 348-350 °C (lit.) |
| Flash Point | 169°F |
| JECFA Number | 166 |
| Vapor Presure | 0.413mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.414(lit.) |
| Physical and Chemical Properties | Clear colorless to yellow liquid. Apple and cocoa flavor, there are green, wax and fresh pulp, tropical fruits and jackfruit aroma. Dissolve in ethanol (1:2,80% ethanol; 1:1,90% ethanol). The boiling point is 176~177 °c, and the flash point is 76 °c. Natural products are found in fresh apples, apple juice, apricot, bananas, beer, confug, cognac, rum, malt, cider, white, red wine, Rose, cooked pork, in the case of apple, apple, pear and pear wine, etc. |
HEXANOIC ACID ISOBUTYL ESTER - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37 - Irritating to eyes and respiratory system. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 2 |
| RTECS | MO8389000 |
| HS Code | 29156000 |
HEXANOIC ACID ISOBUTYL ESTER - Reference Information
| FEMA | 2202 | ISOBUTYL HEXANOATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): gum 2.0; Cold beverage 3.9; Non-alcohol beverage 5.4; Candy 8.1; baked goods 8.3. FDA,§ 172.515: limited to the appropriate amount. |
| Use | GB 2760-97 specifies the permitted use of food spices. Mainly used in the preparation of apple, pear, jackfruit, preserved fruit, ice cream, tropical fruit and cocoa flavor. |
| production method | is obtained by direct esterification of hexanoic acid and isobutanol. |
Last Update：2024-04-09 20:44:15
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