7452-79-1 Usage
Description
Ethyl 2-methylbutyrate is the ethyl ester form of the 2-methylbutyrate with pleasant sweet aroma. It is a naturally occurring ester which is found in apple, wine, orange, strawberry, cheese, milk, mango, cognac, etc. It is a highly valuable flavoring agent used in flavoring in foods and beverages as well as fragrance in perfume and perfumed products. It is generally prepared through the esterification between alcohol and 2-methylbutyrate.
References
Dimick, Paul S., Jonathan C. Hoskin, and Terry E. Acree. "Review of apple flavor—State of the art?." Critical Reviews in Food Science & Nutrition 18.4 (1983): 387-409.
Konczal, J. B., et al. "Apple juice flavor compound sorption by sealant films."Journal of food science 57.4 (1992): 967-970.
Djojoputro, Hiannie, and Suryadi Ismadji. "Density and viscosity of binary mixtures of ethyl-2-methylbutyrate and ethyl hexanoate with methanol, ethanol, and 1-propanol at (293.15, 303.15, and 313.15) K." Journal of Chemical & Engineering Data 50.4 (2005): 1343-1347.
Chemical Properties
Different sources of media describe the Chemical Properties of 7452-79-1 differently. You can refer to the following data:
1. clear colorless liquid
2. Ethyl 2-Methylbutyrate is a liquid with
a green, fruity odor reminiscent of apples. It is found, for example, in citrus fruits
and wild berries and is used in fruit flavor compositions.
3. Ethyl 2-methylbutyrate has a powerful, green-fruity, apple-like odor.
Occurrence
Reported found in nature; the ethyl l-methylbutyrate has been identified in strawberry juice; because of the
presence of the asymmetric carbon, the compound should exhibit optically active forms as well as the racemic form; however,
only the d-form and the racemic form are known. Reported found in apple juice, orange and grapefruit juice, bilberry, pineapple,
strawberry, cheeses, milk, cognac, rum, whiskey, cider, mango, mountain papaya, spineless monkey orange (Strychnos madagasc.),
Chinese quince and German chamomile oil.
Preparation
The racemic form can be prepared catalytically by several methods: from butene and Ni(CO)4 under nitrogen in ethyl
alcohol/acetic acid solution, or from ethylene and CO under pressure using HBF4 and HF as catalysts.
Aroma threshold values
Detection: 0.01 to 0.1 ppb
Taste threshold values
Taste characteristics at 40 ppm: fruity, green, berry, strawberry, fresh apple, pineapple and raspberry
General Description
A colorless oily liquid with a fruity odor. Insoluble in water and less dense than water. Flash point 73°F. Contact may irritate skin, eyes and mucous membranes.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
ETHYL-2-METHYL BUTYRATE 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.
Flammability and Explosibility
Nonflammable
Check Digit Verification of cas no
The CAS Registry Mumber 7452-79-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,4,5 and 2 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 7452-79:
(6*7)+(5*4)+(4*5)+(3*2)+(2*7)+(1*9)=111
111 % 10 = 1
So 7452-79-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/t6-/m1/s1
7452-79-1Relevant articles and documents
PROCESSES FOR PREPARING A 2-(1,2,2-TRIMETHYL-3-CYCLOPENTENYL)-2-OXOETHYL CARBOXYLATE COMPOUND AND HYDROXYMETHYL 1,2,2-TRIMETHYL-3-CYCLOPENTENYL KETONE, AND A HALOMETHYL (1,2,2-TRIMETHYL-3-CYCLOPENTENYL) KETONE COMPOUND
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Paragraph 0026; 0328, (2021/04/23)
A process for preparing a 2-(1,2,2-trimethyl-3-cyclopentenyl)-2-oxoethyl carboxylate compound of the following general formula (6), wherein R represents a monovalent hydrocarbon group having 1 to 9 carbon atoms, the process comprising esterifying a 2-(1,2,2-trimethyl-3-cyclopentenyl)-2-oxoethyl compound of the following general formula (5), wherein X represents a hydroxyl group or a halogen atom, to form the 2-(1,2,2-trimethyl-3-cyclopentenyl)-2-oxoethyl carboxylate compound (6).
Mononuclear ruthenium complex and organic synthesis reaction using same
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Page/Page column 42; 46, (2018/03/26)
A neutral or cationic mononuclear ruthenium divalent complex represented by formula (1) can actualize exceptional catalytic activity in at least one reaction among a hydrosilylation reaction, hydrogenation reaction, and carbonyl compound reduction reaction. (In the formula, R1-R6 each independently represent a hydrogen atom or an alkyl group, aryl group, aralkyl group, organooxy group, monoorganoamino group, diorganoamino group, monoorganophosphino group, diorganophosphino group, monoorganosilyl group, diorganosilyl group, triorganosilyl group, or organothio group optionally substituted by X; at least one pair comprising any of R1-R3 and any of R4-R6 together represents a crosslinkable substituent; X represents a halogen atom, organooxy group, monoorganoamino group, diorganoamino group, or organothio group; L each independently represent a two-electron ligand other than CO and thiourea ligands; two L may bond to each other; and m represents an integer of 3 or 4.)
Hepta-, hexa-, penta-, tetra-, and trisaccharide resin glycosides from three species of Ipomoea and their antiproliferative activity on two glioma cell lines
León-Rivera, Ismael,del Río-Portilla, Federico,Enríquez, Raúl G.,Rangel-López, Edgar,Villeda, Juana,Rios, María Yolanda,Navarrete-Vázquez, Gabriel,Hurtado-Días, Israel,Guzmán-Valdivieso, Ulises,Nú?ez-Urquiza, Verónica,Escobedo-Martínez, Carolina
, p. 214 - 223 (2017/03/05)
Six new partially acylated resin glycosides were isolated from convolvulin of Ipomoea purga, Ipomoea stans, and Ipomoea murucoides (Convolvulaceae). The structures of compounds 1–6 were elucidated by a combination of NMR spectroscopy and mass spectrometry. The structure of jalapinoside B (1) consists of a hexasaccharide core bonded to an 11-hydroxytetradecanoic (convolvulinic) acid forming a macrolactone acylated by a 2-methylbutanoyl, a 3-hydroxy-2-methylbutanoyl, and a quamoclinic acid B units. Purginoic acid A (2) contains a hexasaccharide core bonded to a convolvulinic acid acylated by a 3-hydroxy-2-methylbutanoyl unit. Stansin A (4) is an ester-type heterodimer, and consists of two stansoic acid A (3) units, acylated by 2-methylbutanoic and 3-hydroxy-2-methylbutanoic acids. The site of lactonization was located at C-3 of Rhamnose, and the position for the ester linkage of the monomeric unit B on the macrolactone unit A was established as C-4 of the terminal rhamnose. Compounds 5 and 6 are glycosidic acids. Murucinic acid II (5) is composed of a pentasaccharide core bonded to an 11-hydroxyhexadecanoic (jalapinolic) acid, acylated by an acetyl unit. Stansinic acid I (6) is a tetrasaccharide core bonded to a jalapinolic acid, acylated by 2-methylbutanoyl and 3-hydroxy-2-methylbutanoyl units. Preliminary testing showed the cytotoxicity of compounds 1–6 toward OVCAR and UISO-SQC-1 cancer cell lines. In addition, compound 1 showed an antiproliferative activity on glioma C6 and RG2 tumor cell lines. Copyright
