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| | Isobutyl formate Basic information |
| | Isobutyl formate Chemical Properties |
| Melting point | -96 °C | | Boiling point | 98.4 °C (lit.) | | density | 0.885 g/mL at 25 °C (lit.) | | vapor density | 3.52 (vs air) | | refractive index | n20/D 1.385(lit.) | | FEMA | 2197 | ISOBUTYL FORMATE | | Fp | 50 °F | | storage temp. | Flammables area | | Water Solubility | Soluble in water | | form | clear liquid | | color | Colorless to Almost colorless | | Odor | at 10.00 % in dipropylene glycol. sweet chemical ether fruity | | Odor Type | chemical | | explosive limit | 8.9% | | Odor Threshold | 0.49ppm | | biological source | synthetic | | JECFA Number | 124 | | Merck | 14,5143 | | Henry's Law Constant | 1.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | | Dielectric constant | 6.5（19℃） | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 | | InChIKey | AVMSWPWPYJVYKY-UHFFFAOYSA-N | | SMILES | CC(C)COC=O | | LogP | 1.23 | | CAS DataBase Reference | 542-55-2(CAS DataBase Reference) | | EPA Substance Registry System | Formic acid, 2-methylpropyl ester (542-55-2) |
| Hazard Codes | F,C,Xi | | Risk Statements | 11-34-36/37 | | Safety Statements | 16-26-33-36/37/39-45-24-9 | | RIDADR | UN 2393 | | WGK Germany | 2 | | RTECS | LQ8650000 | | Autoignition Temperature | 608 °F | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29151300 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 2
STOT SE 3 |
| | Isobutyl formate Usage And Synthesis |
| Description | Isobutyl formate has a fruity, ether-like odor and a sweet taste
reminiscent of rum. Isobutyl formate may be prepared from isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm. | | Chemical Properties | CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | | Chemical Properties | Isobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum. | | Occurrence | Reported found in pineapple, apple, vinegar, wheat bread, beer, cognac and rum. | | Uses | Isobutyl Formate is a synthetic flavoring agent that is a stable,
colorless liquid of fruity odor. storage should be in glass or tin
containers. it is used in fruit flavors such as pear, raspberry, and
other berry flavors with applications in beverages, ice cream, candy,
and baked goods at 2–18 ppm. | | Preparation | From isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm | | Definition | ChEBI: 2-Methylpropyl formate is a carboxylic ester. | | Taste threshold values | Taste characteristics at 10 ppm: slightly sweet, fresh, gives lift, fruity | | General Description | A colorless liquid. Less dense than water. Flash point 60°F. Vapors heavier than air. Vapors may be narcotic and irritating in high concentrations. Used as a solvent and to make perfumes. | | Air & Water Reactions | Highly flammable. Soluble in water. | | Reactivity Profile | Isobutyl formate 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 | May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | | Fire Hazard | HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | | Biochem/physiol Actions | Taste at 10 ppm | | Synthesis | Iso-BUTYL FORMATE is synthesized from iso-Butanol by direct esterification with formic acid under azeotropic conditions, using e. g. para-Tolylsulfonic acid catalyst.
| | Purification Methods | Wash the formate with saturated aqueous NaHCO3, in the presence of saturated NaCl solution until no further reaction occurs, then with saturated aqueous NaCl, dry (MgSO4) and fractionally distil it. [Beilstein 2 H 21, 2 I 18, 2 II 30, 2 III 41, 2 IV 29.] |
| | Isobutyl formate Preparation Products And Raw materials |
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