97-62-1 Usage
Chemical Properties
Different sources of media describe the Chemical Properties of 97-62-1 differently. You can refer to the following data:
1. Colorless volatile liquid. With aromas of fruit and cream. Melting point is -88 DEG C, and boiling point is 112 ~ 113 C. Slightly soluble in water and miscible with most organic solvents.
The natural product is found in strawberries, honey, molasses, beer and champagne.
2. CLEAR COLOURLESS LIQUID
3. Ethyl isobutyrate has a fruity aromatic odor.
Uses
Different sources of media describe the Uses of 97-62-1 differently. You can refer to the following data:
1. Used as food essence and flavoring, mainly used in the preparation of cream and strawberry, cherry and other fruit essences. It can also be used as raw flavoring in cigarettes, daily chemical products and other products. At the same time, it is also an excellent organic solvent.
2. It is employed to make flavoring compounds and essences, as a flavoring agent and to flavor animal feeds.
3. Ethyl Isobutyrate is a synthetic flavoring agent that is a stable, col-
orless liquid of dry, fruity odor. it should be stored in tin, glass, or
resin-lined containers. it is used to give fruity effects to flavors for
applications in candy, baked goods, and beverages at 10–100 ppm.
4. manufacture of flavoring Compounds and essences.
Use restriction
FEMA(mg/kg):Soft drink 10; cold drink 25;sweets 73; baked food 200; puddings6.0; piping layers 1.5.
Preparation
Different sources of media describe the Preparation of 97-62-1 differently. You can refer to the following data:
1. Obtained by esterification of isobutyric acid and anhydrous ethanol. After mixing isobutyric acid and anhydrous ethanol, carefully add concentrated sulfuric acid. After refluxing the mixture for 14h, it should be washed by water and saturated sodium bicarbonate solution and dried by anhydrous magnesium sulfate and then go through distillation. Collecting fractions at 109-111℃ and obtain 2- methyl ethyl propionate. The yield is 69 percent.
2. By esterification of ethanol with isobutyric acid under azeotropic conditions.
Toxicity
GRAS (FEMA)
LD50800mg/kg (mice, subcutaneous )
Content Analysis
Adopt method one offered by the ester measurement. The sample is taken 1.0 gram by weight. Equivalent factor under calculation is taken at 58.08.
It should be measured with non-polar column method used in GT-10-4.
Occurrence
Reported found in apple juice, banana, chocolate, cognac, Concord grape, honey, apricot, orange, pineapple, rum,
strawberry, strawberry oil, watermelon, whiskey, champagne wine, grape wine, beer, port, passion fruit wine, sherry wine, orange juice,
papaya, mango, kiwi fruit, quince, spineless monkey orange (Strychnos madagasc.), spearmint oil and Parmesan cheese.
Definition
ChEBI: A fatty acid methyl ester obtained by the formal condensation of isobutyric acid with ethanol.
Aroma threshold values
Detection: 0.01 to 1 ppb
Taste threshold values
Taste characteristics at 12.5 ppm: pungent, ethereal and fruity with a rum- and eggnog-like nuance. Taste
characteristics at 20 ppm: sweet, ethereal, fruity with a rum-like nuance
Synthesis Reference(s)
Tetrahedron, 27, p. 2671, 1971 DOI: 10.1016/S0040-4020(01)98056-1Tetrahedron Letters, 28, p. 953, 1987 DOI: 10.1016/S0040-4039(00)95884-2
General Description
A colorless volatile liquid with a fruity, aromatic odor. Less dense than water and insoluble in water. Flash point below 60°F. Vapors heavier than air. May irritate skin and eyes. Used to make flavoring extracts and other chemicals.
Air & Water Reactions
Highly flammable. Insoluble in water.
Safety Profile
Moderately toxic by
intraperitoneal route. A skin irritant.
Flammable liquid. A very dangerous fire
hazard when exposed to heat or flame; can
react vigorously with oxidizing materials. To
fight fire, use foam, CO2, dry chemical.
When heated to decomposition it emits
acrid smoke and irritating fumes. See also
ESTERS.
Purification Methods
Wash the ester with aqueous 5% Na2CO3, then with saturated aqueous CaCl2. Dry it over CaSO4 and distil. [Beilstein 1 IV 846.]
Check Digit Verification of cas no
The CAS Registry Mumber 97-62-1 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 7 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 97-62:
(4*9)+(3*7)+(2*6)+(1*2)=71
71 % 10 = 1
So 97-62-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
97-62-1Relevant articles and documents
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Hammond,Fox
, p. 1918,1920 (1964)
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Selective C-C Bond Scission of Ketones via Visible-Light-Mediated Cerium Catalysis
Chen, Yilin,Du, Jianbo,Zuo, Zhiwei
supporting information, p. 266 - 279 (2020/01/08)
-
A methodical selection process for the development of ketones and esters as bio-based replacements for traditional hydrocarbon solvents
Byrne, Fergal P.,Forier, Bart,Bossaert, Greet,Hoebers, Charly,Farmer, Thomas J.,Hunt, Andrew J.
supporting information, p. 4003 - 4011 (2018/09/11)
A "top down" approach to the development of sustainable, greener, low-polarity solvents is presented. Methyl butyrate, ethyl isobutyrate, methyl pivalate and pinacolone were identified as potential target solvents from trends in Hansen solubility parameters and known physical properties. Solubility, flammability and physical properties were determined which showed their potential to replace traditional, hazardous, volatile, non-polar solvents such as toluene. Each new candidate then demonstrated their suitability to replace these traditional solvents in solubility tests, despite being esters and ketones, each candidate demonstrated their similarity to traditional volatile non-polar solvents in terms of their solubility properties by their ability to dissolve natural rubber, a particularly low-polarity solute. This was reinforced by their performance in a model Menschutkin reaction and a radical-initiated polymerisation for the production of pressure-sensitive adhesives, where their performance was found to be similar to that of toluene. Importantly, a preliminary toxicity test (Ames test) suggested non-mutagenicity in all candidates. Each of the four candidates can be synthesised via a catalytic route from potentially renewable resources, thus enhancing their green credentials.
NANOEMULSIONS
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Page/Page column 20, (2016/09/22)
An oil-in-water emulsion comprises an emulsifier which is a non-gelled branched polymer (e.g. a branched vinyl polymer), wherein the ends of at least some of the chains of said polymer terminate in an alkyl chain of 5 carbon atoms or more, and wherein the oil-in-water emulsion takes the form of particles having a z-average diameter of no greater than about 1000 nm. This is useful in, for example, facilitating the carrying of hydrophobic materials within aqueous systems, to enhance oral drug delivery. The oil-in-water emulsion may be prepared by mixing an oil phase with an aqueous phase in the presence of an emulsifier, wherein said emulsifier is a non-gelled branched polymer, wherein the ends of at least some of the chains of said polymer terminate in an alkyl chain of 5 carbon atoms or more, and wherein the oil-in-water emulsion takes the form of particles having a z-average diameter of no greater than about 1000 nm. The oil phase may comprise a further solvent which is miscible with the oil, said solvent being allowed to evaporate to produce the final emulsion.