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| | Isobutyl hexanoate Basic information |
| Product Name: | Isobutyl hexanoate | | Synonyms: | HEXANOIC ACID ISOBUTYL ESTER;ISOBUTYL CAPROATE;ISOBUTYL HEXANOATE;ISOBUTYL N-HEXANOATE;FEMA 2202;BUTYL ISO, CAPROATE;BUTYL ISO, HEXANOATE;N-HEXANOIC ACID ISOBUTYL ESTER | | CAS: | 105-79-3 | | MF: | C10H20O2 | | MW: | 172.26 | | EINECS: | 203-332-6 | | Product Categories: | | | Mol File: | 105-79-3.mol |  |
| | Isobutyl hexanoate Chemical Properties |
| Hazard Codes | Xi | | Risk Statements | 36/37 | | Safety Statements | 26 | | WGK Germany | 2 | | RTECS | MO8389000 | | HS Code | 29156000 |
| | Isobutyl hexanoate Usage And Synthesis |
| Description | Isobutyl hexanoate has a fruity odor with a cocoa-like undertone.
May be synthesized by direct esterifiication.
| | Chemical Properties | Apple, fruity odor with cocoa-like underto | | Occurrence | Reported found in banana, grapes, apple, apricot, beer, rum, cognac, malt whiskey, cider, sherry, grape wines,
passion fruit, apple brandy, plum wine, quince, sea buckthorn (Hippophae rhamnoides L.), spineless monkey orange and Chinese
quince peel | | Definition | ChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol. | | Preparation | By direct esterification of heptanoic acid with isobutyl alcohol or by treating heptanoic acid and isobutyl alcohol in the
presence of defatted Chelidonium majus seeds at 20°C for 3 days. | | Aroma threshold values | Aroma characteristics at 2.0%: sweet, estry, fruity pineapple, green apple, peach and tropica | | Taste threshold values | Taste characteristics at 10 ppm: fruity, sweet, pineapple, green, tropical and estry.
| | General Description | A liquid. Flash point 198°F. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | ISOBUTYL CAPROATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. | | Health Hazard | Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | | Biochem/physiol Actions | Taste at 10 ppm |
| | Isobutyl hexanoate Preparation Products And Raw materials |
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