Category: 5340-78-3

Hay, Michael B. published the artcilePalladium-catalyzed synthesis of tetrahydrofurans from γ-hydroxy terminal alkenes: Scope, limitations, and stereoselectivity, Application of Ethyltert-butylacetate, the publication is Journal of Organic Chemistry (2005), 70(8), 3099-3107, database is CAplus and MEDLINE.

A stereoselective synthesis of substituted tetrahydrofurans, e.g., I, by Pd-catalyzed reactions of aryl and vinyl bromides with γ-hydroxy terminal alkenes is described. This transformation afforded trans-2,5- and trans-2,3-disubstituted tetrahydrofurans with good diastereomeric ratio. This methodol. also provided access to bicyclic and spirocyclic THF derivatives in good yield diastereomeric ratio. The scope and limitations of these transformations are discussed in detail, as are the effect of substrate sterics and electronics on yield and stereoselectivity. A proposed mechanism of these transformations is presented along with a model that rationalizes the stereochem. outcome of the reactions.

Journal of Organic Chemistry published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Application of Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Jiang, Yu published the artcileSolvent extraction of Hulunbeier lignite and oxidation of coal extracted residue with hydrogen peroxide, Synthetic Route of 5340-78-3, the publication is Mei Huagong (2014), 42(2), 27-31, database is CAplus.

Hulunbeier lignite was extracted using CS₂, ethanol and acetone as solvent and the coal extract residues were analyzed with GC/MS. The results showed that CS₂ extracts mainly consisted of long chain aliphatic hydrocarbon and aromatic hydrocarbon. Aliphatic hydrocarbon existed in the three solvent extracts Coal extracted residue was oxidized for 4h at 40°C with hydrogen peroxide at a constant temperature in a water bath with magnetic stirrer and ultrasonic bath, resp. The reaction in ultrasonic bath was sharp. The chem. structure changes of raw coal, coal extracted residue and oxidized coal were analyzed using FTIR. The water soluble products were extracted using Et acetate. The GC/MS anal. of Et acetate extracts detected 30 compounds through oxidation in water bath with magnetic stirrer, among which esters were in higher abundance, while 14 compounds were identified in ultrasonic bath.

Mei Huagong published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Synthetic Route of 5340-78-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Takeoka, Gary R. published the artcileCyclic esters: compounds possessing remarkably low odor thresholds, Application of Ethyltert-butylacetate, the publication is Lebensmittel-Wissenschaft und -Technologie (1991), 24(6), 569-70, database is CAplus.

A series of cyclic esters (Et cyclopropanecarboxylate to Et cyclooctanecarboxylate) were synthesized and their odor thresholds were determined using sensory panel methods. Ring size had a dramatic effect on the odor potency of the esters. The odor thresholds reached a min. (0.001 ppb) with the cyclopentane and cyclohexane ring substituents. While increasing the ring size had only a slight effect on the odor threshold, smaller ring substituents had much higher odor thresholds. The effect of double bond position in the cyclohexane ring on the odor threshold was also examined

Lebensmittel-Wissenschaft und -Technologie published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C38H74Cl2N2O4, Application of Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Rogers, E. F. published the artcileThe structure and toxicity of DDT insecticides, Computed Properties of 5340-78-3, the publication is Journal of the American Chemical Society (1953), 2991-9, database is CAplus.

A novel steric effect for diphenylmethanes which have a bulky substituent on the α-C atom, based on the consideration of a Fisher-Hirschfelder model of Ph₂CHCMe₃ (I), is postulated and generalized as follows: In compounds having on 1 C atom 2 or 3 planar groups and a group sufficiently large to hinder the rotation of the planar groups, although capable of rotation itself, the planar group will tend to positions of maximum clearance, i.e., to positions corresponding to the sides of a trihedral angle; this steric effect is termed trihedralization. In I the only rotation possible is that of the Me₃C group. With DDT a more complex situation arises, since it is possible to rotate 1 large group, either a p-ClC₆H₄ or the CCl₃ group, about the central C atom. Since rotation of the CCl₃ group appears to involve less strain, it is assumed that DDT has a configuration similar to that suggested for I. If the CCl₃ group of DDT has, as one of its functions, the trihedralization of the (p-ClC₆H₄)₂CH moiety, replacement of this group with other trihedralizing groups may give effective insecticides. (p-MeOC₆H₄)₂CHCMe₃ (II) was found to have insecticidal activity of the same order as the DDT analog methoxychlor [(p-MeOC₆H₄)₂CHCCl₃]. The structure-activity relationships have been explored by tests of many related, new compounds A significant lack of activity was observed with (p-MeOC₆H₄)₂CHCH₂CMe₃ (III) and [(p-ClC₆H₄)₂CHNMe₃]Br (IV). It is concluded that the basic structural requirement for insecticidal activity of the DDT type is a diphenylmethyl moiety substituted at the p,p’-positions by halogen, MeO, or Me, and joined at the central C atom to a relatively nonpolar group of sufficient bulk to hinder the rotation of the aryl rings. A flattened (trihedralized) configuration of the diphenylmethyl moiety is thereby produced, similar to the steroids in shape and length. Mol. compounds with steroids are proposed as a mechanism for transport of DDT insecticides to fatty tissue. The toxicities of DDT-type compounds can be related to the possibility of combination with steroids. Me₃CCO₂Et (65 g.) in Et₂O added to p-MeOC₆H₄MgBr (from 200 g. p-MeOC₆H₄Br) in Et₂O at 0°, the mixture warmed to room temperature, let stand 16 hrs., refluxed 4 hrs., hydrolyzed with 200 cc. 25% aqueous NH₄Cl, the Et₂O layer dried with Na₂SO₄, evaporated, the semisolid orange residue (146 g.) dissolved in boiling petr. ether, the solution cooled slowly, the crude (p-MeOC₆H₄)₂ (3.0 g.), m. 62-95° (recrystallized, m. 171-2°), filtered off, and the filtrate chilled gave 118 g. (78%) crude (p-MeOC₆H₄)₂C(OH)CMe₃ (V), m. 66-76°; m. 81-3° (from petr. ether). V could not be prepared from Me₃CMgCl with (p-MeOC₆H₄)₂CO. tert-AmMgCl with (p-MeC₆H₄)₂CO also failed to give appreciable yields of the desired alc. V (30 g.) in 100 cc. absolute EtOH, hydrogenated 3 hrs. at 250° and 6000 lb. pressure over 10 g. Ba-stabilized Cu chromite catalyst, the mixture filtered through Supercel, and the filtrate evaporated in vacuo yielded 26 g. II, m. 51-7°; recrystallized twice from petr. ether and dried over paraffin, it m. 59-61°. II (8.5 g.) and 20 g. pyridine-HCl refluxed 6 hrs. at 220° bath temperature, and the mixture cooled and treated with H₂O yielded 5.0 g. (66%) (p-HOC₆H₄)₂CHCMe₃ (VI), m. 163-4° (from C₆H₆). Me₃CCHO (3.5 g.) added at 0-5° to 50 cc. concentrated H₂SO₄ and 50 cc. glacial AcOH, the mixture treated portionwise during 20 min. with 7.5 g. PhOH, let stand 2.5 hrs. at 0-5°, poured on ice, the crude precipitate (2.9 g.), m. 124-36°, extract with 10% NaOH, and the extract acidified gave VI, m. 158-60° (from C₆H₆). SOCl₂ (16.5 g.) added dropwise with stirring to 30 g. V in 50 cc. PhMe at 0°, the mixture stirred 2 hrs. at 10°, let stand overnight at room temperature, the SOCl₂ removed, and the residue chilled gave 1.2 g. gray solid, m. 118-22°, possibly the rearranged chloride; the filtrate on distillation yielded 20 g. (71%) (p-MeOC₆H₄)₂CMeCMe:CH₂ (VII), colorless viscous oil, b₁ 165-71°, b₉ 208-9°, n²⁵_D 1.5738, d₂₅ 1.075, reacted instantly with KMnO₄ and with Br. VII hydrogenated in EtOH at room temperature over Pd-C catalyst yielded 64% (p-MeOC₆H₄)₂CMeCHMe₂ (VIII), m. 100-2° (from EtOH). VIII demethylated in refluxing HBr-AcOH gave (p-HOC₆H₆)₂CMeCHMe₂, m. 157-8°. The HCl-catalyzed condensation of PhOH and Me₂CHAc gave after 1 month at room temperature 9% p-HOC₆H₄CHMeCMe₂C₆H₄OH-p (IX), m. 198-9°. IX methylated with Me₂SO₄ and alkali and the product washed with Claisen alkali gave the di-Me ether of IX, b₇ 200-10°, n²⁵_D 1.5670, d₂₅ 1.066. Me₃CCO₂Et treated with PhMgBr yielded 53% Ph₂C(OH)CMe₃ (X), b₁ 155-61°, n²⁵_D 1.5745, d₂₅ 1.054. Reduction of X yielded Ph₂CHCMe₃ (XI). Into XI (11.2 g.) in 200 cc. CCl₄ heated with 1 g. powd. Fe to 70° was introduced 18 g. Br below the surface of the liquid in the dark during 3.5 hrs. and the mixture stirred 2 hrs. at 70°, let stand overnight at room temperature, washed with 10% alkali, dried over Na₂SO₄, and evaporated to leave 17.2 g. crude oil; distillation of a 16-g. portion of the oil gave 0.8 g. distillate at 150-64°/< 1 mm., 4 g. at 164-7°/< 1 mm., and 5 g. at 183-7°/< 1 mm.; identical runs with a Br-addition time of 4 hrs. and subsequent reaction for 7 hrs. at 55° gave 63% distillate, b₁ 200-5°, n²⁵_D 1.6012, which afforded 24% (p-BrC₆H₄)₂CHCMe₃ (XII), crystals, m. 83°. XI (45 g.) and 1 g. powd. Fe in 150 cc. CCl₄ treated 3 hrs. at 0-5° in the dark with Cl, the mixture packed in ice, allowed to warm up slowly overnight, washed with dilute H₂SO₄, and aqueous NaHCO₃, dried, and the solvent removed in vacuo gave 61 g. light yellow oil; distillation of a 51-g. sample of the crude oil gave 16.2 g. distillate, b₁ 160-7°; 20.2 g., b₁ 167-9°; and 8.6 g., b₁ 174-87°; the 1st 2 fractions are impure (p-ClC₆H₄)₂CHCMe₃. Concentrated HNO₃ (d. 1.42)(27 cc.) and 30 cc. concentrated H₂SO₄ added to 33.6 g. XI at 40-50°, the mixture heated 2 hrs. with stirring at 45-50°, poured on ice, the orange, tacky gum triturated with 5% aqueous NaHCO₃, filtered, the insoluble sticky powder milled with Et₂O, and the resulting white crystalline product, m. 135-40°, (36 g.) recrystallized from 300 cc. EtOH gave (p-O₂NC₆H₄)₂CHCMe₃, m. 145-7°, reduced in EtOH at room temperature with Pt catalyst to (p-H₂NC₆H₄)₂CHCMe₃, m. 144° (from Et₂O-petr. ether). p-FC₆H₄MgBr and Me₃CCO₂Et yielded 41% (p-FC₆H₄)₂C(OH)CMe₃ (XIV), m. 76-7° (from petr. ether). XIV hydrogenated over Cu chromite gave 87% (p-FC₆H₄)₂CHCMe₃ (XV), m. 40-50°, m. 52-5° after distillation at 110-12°/<1 mm., highly soluble in the common organic solvents. p-MeC₆H₄MgBr and Me₃CCO₂Et gave (p-MeC₆H₄)₂C(OH)CMe₃, b₁ 165-71°, n²⁵ _D 1.5640, d₂₅ 1.021; redistilled, it b_0.5 151-3°, and was reduced to 77% (p-MeC₆H₄)₂CHCMe₃ (XVI), b₁, 128°, n²⁵_D 1.5528, d₂₅ 0.959. XVI (12 g.) hydrogenated at 250° and 3500 lb. pressure 7 hrs. over Raney Ni gave 8 g. 1-p-tolyl-1-(4-methylcyclohexyl)-2,2-dimethylpropane, b_0.5 122-4°, n²⁵_D 1.5090, d₂₅ 0.915. The crude carbinol obtained from p-MeC₆H₄MgBr and Me₂CHCO₂Et was dehydrated by heating with iodine 3 hrs. at 100° to 60% (over-all) (p-MeC₆H₄)₂C:CMe₂, b₈ 160°, m. 46-7°, which was reduced to 80% (p-MeC₆H₄)₂CHCHMe₂, m. 48-9° (from MeOH). The crude carbinol from p-MeC₆H₄MgBr and 2,4-Me₂C₆H₃COCHMe₂ gave similarly 45% p-MeC₆H₄(2,4-Me₂C₆H₃)C:CMe₂, b₆ 167-8°, n²⁵_D 1.5717, d₂₅ 0.965, quantitatively reduced to p-MeC₆H₄(2,4-Me₂C₆H₃)CHCHMe₂, b₅ 158°, n²⁵_D 1.5528, d₂₅, 0.960. [p-MeOC₆H₄C(OH)Me]₂, m. 192-3°, was reduced to 40% meso(p-MeOC₆H₄CHMe)₂, m. 138° (from petr. ether). PhOMe (162 g.) treated with 266 g. AlCl₃, the complex saturated with dry HCl at 0°, treated dropwise with 36 g. Me₂CHCHO at 0° during 1 hr., the solution warmed to room temperature overnight, poured on ice, the organic layer washed with aqueous NaHCO₃, steam-distilled to remove 90 cc. PhOMe, and the residual oil fractionated yielded 56% (p-MeOC₆H₄)₂CHCHMe₂ (XVII), b₁ 177-81°. The AlCl₃-catalyzed condensation of PhOMe and Me₃CCH₂CHMeCH₂CHO yielded 30% (p-MeOC₆H₄)₂CHCH₂CHMeCH₂CMe₃, b₁ 190-6°, n²⁵_D 1.5568, d₂₅ 1.080. Me₃CCH₂CO₂Et (XVIII), b₁₀₅ 85-6°, n²⁵_D 1.4020, was prepared in good yield by conversion of diisobutylene to Me₃CCH₂Ac, which was oxidized with hypobromite to Me₃CCH₂CO₂H, and this esterified with EtOH. XVIII treated with p-MeOC₆H₄MgBr gave (p-MeOC₆H₄)₂C(OH)CH₂CMe₃ (XIX), m. 78-9° (from C₆H₆-Skellysolve D), reduced to 75% (p-MeOC₆H₄)₂CHCH₂CMe₃ (XX), m. 57-8° (from petr. ether). Me₃CMgCl and p-MeOC₆H₄CHO yielded 77% p-MeOC₆H₄CH(OH)CMe₃, b₁₂ 140°, m. 41-2°, which was reduced to 77% p-MeOC₆H₄CH₂CMe₃, b₁₀ 105-6°, n²⁵_D 1.4953. Me₃CMgCl and p-MeOC₆H₄Ac yielded 60% p-MeOC₆H₄CMe(OH)CMe₃, b₁₃ 140-6°, m. 93-4° (from Me₂CO), reduced to 60% p-MeOC₆H₄CHMeCMe₃, b₈ 102-10°. (p-MeOC₆H₄)₂CHCN, m. 154-5° (prepared from p-MeOC₆H₄CH(OH)CN and PhOMe in the presence of BF₃), with excess MeMgI, the mixture hydrolyzed, and the neutral fraction distilled yielded 48% (p-MeOC₆H₄CH₂)₂CHAc (XXI), b₃ 218-21°, m. 66-8°; oxime, m. 118-35° (from CHCl₃). (p-ClC₆H₄)₂CHBr treated with anhydrous Me₃N in MeCN at -10°, and the crude product dried in a vacuum desiccator and recrystallized from Me₂CO-petr. ether gave IV, m. 185-7°. The following compounds have been tested as contact insecticides with German cockroaches and milkweed bugs, as fabric protectants with clothes-moth and carpet-beetle larvae, and as larvicides with mosquito larvae: I, II, IV, XII, XIII, XV, XVI, XVII, XX, methoxychlor, (p-MeOC₆H₄)₂CH₂, and (p-MeOC₆H₄)₂CHMe. The results are tabulated.

Journal of the American Chemical Society published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Computed Properties of 5340-78-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Nandurkar, Nitin S. published the artcileSynthesis of sterically hindered 1,3-diketones, Recommanded Product: Ethyltert-butylacetate, the publication is Synthetic Communications (2007), 37(23), 4111-4115, database is CAplus.

An efficient and practical method for the synthesis of sterically hindered aliphatic/aromatic 1,3-diketones via coupling of ketones with esters using potassium tert-butoxide was described. The protocol requires milder operating conditions, and the products were obtained in good to excellent yields.

Synthetic Communications published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Recommanded Product: Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Garcia Ruano, Jose L. published the artcileHighly Stereoselective Aldol Reactions of Lithium Ester Enolates with (R_S)-2-(p-Tolylsulfinyl)cyclohexanones, Application In Synthesis of 5340-78-3, the publication is Journal of Organic Chemistry (1996), 61(26), 9462-9470, database is CAplus.

Aldol reactions of lithium alkyl acetates (LiCRR”CO₂R’) with (R_S)-2-(p-tolylsulfinyl)cyclohexanone (1) (as an epimeric mixture at C-2) take place with very efficient control of the configuration at the tertiary hydroxylic carbon (C-1). Stereoselectivity becomes complete if R and/or R” are not hydrogen. Only carbinols derived from the (S₂,R_S)-1 epimer were obtained, the major ones being those exhibiting the S configuration (opposite to that of the sulfur) at the hydroxylic carbon. When LiCHRCO₂R’ is used, mixtures of the two epimers at the new stereogenic center C-1′ are obtained (∼10-82% de), their proportion being dependent on the size of R. The use of lactone enolates avoids the formation of epimeric mixtures, affording only one diastereoisomer with an (R_3′,S₁,S₂,R_S) configuration at the four adjacent chiral centers. Tricoordinated lithium species, which involve the enolate and the sulfinyl and carbonyl oxygens of the substrates, are invoked to explain the stereoselectivity observed in these aldol reactions with sulfinyl ketones as electrophiles.

Journal of Organic Chemistry published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Application In Synthesis of 5340-78-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Dehmlow, Eckehard V. published the artcileApplications of phase transfer catalysis. Part 13. Phase-transfer-catalyzed hydrolysis reactions, Related Products of esters-buliding-blocks, the publication is Journal of Chemical Research, Synopses (1979), 238-9, database is CAplus.

The phase-transfer-catalyzed saponifications of esters with 50% aqueous NaOH were studied. The effect of solvent, type of ester, and type of catalyst on the saponifications was determined The rate of saponification of EtO₂C(CH₂)₄CO₂Et catalyzed by Aliquat 336 in several solvents decreased in the order: light petroleum > C₆H₆ ∼ Et₂O ≫ CH₂Cl₂. Accelerations produced by phase-transfer catalysis were greatest for very lipophilic anions such as adipate, benzoate, and acetate. The influence of the catalysts on interfacial tensions was determined Anionic and neutral surfactants are very efficient catalysts for the saponifications

Journal of Chemical Research, Synopses published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Bally, Ioana published the artcileSynthesis of carbon-14-labeled isotope-isomeric alkanes. II. Preparation of 2,2,4-trimethylpentane-14C2 labeled at both methyl groups of the isopropyl moiety, Recommanded Product: Ethyltert-butylacetate, the publication is Revue Roumaine de Chimie (1975), 20(11-12), 1471-2, database is CAplus.

Me3CCH2CH(14CH3)2 was prepared in 5 steps from H2C:CCl2 via treatment with Me3COH, and H2O to give Me3CCH2CO2H, which was successively esterified and treated with 14CH3I to give Me3CCH2C(14CH3)2OH:14CH2 and Me3CCH:C(14CH3)2, which were hydrogenated.

Revue Roumaine de Chimie published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Recommanded Product: Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Humphries, Paul S. published the artcilePyridine-3-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents, Synthetic Route of 5340-78-3, the publication is Bioorganic & Medicinal Chemistry Letters (2006), 16(23), 6120-6123, database is CAplus and MEDLINE.

A series of novel pyridine-3-propanoic acids was synthesized. A structure-activity relationship study of these compounds led to the identification of potent dual PPARα/γ agonists with varied isoform selectivity. Based on the results of efficacy studies in diabetic (db/db) mice, and the desired pharmacokinetic parameters, I [R,R¹ = CH₂CH₂; R = R¹ = Me] were selected for further profiling.

Bioorganic & Medicinal Chemistry Letters published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Synthetic Route of 5340-78-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Waring, Paul published the artcileThe dihydropteridine reductase (human brain) [substrate] activity of some lipophilic quinonoid dihydropterins, COA of Formula: C8H16O2, the publication is European Journal of Medicinal Chemistry (1987), 22(2), 83-90, database is CAplus.

I [R¹ = Et, Pr, Me(CH₂)₅, PhCH₂CH₂, and neopentyl; R² = H] and I (R¹ = H, R² = neopentyl) were prepared by reduction of the corresponding II with PtO₂. Oxidation of I‘s gave the corresponding III which were good substrates for dihydropteridine reductase from human brain when compared with the natural cofactor quinonoid dihydrobiopterin III [R¹ = 6R (1R,2′S)-1′,2′-dihydroisopropyl, R² = H), III (R¹ = Me, R² = H), III (R¹ = H, R² = Me) and quinonoid dihydrofolic acid III (R¹ = p-methylaminobenzoylglutamic acid, R² = H). In contrast 5-(2-propylimino) and 5-(2-octylimino)-2,4-diaminopyrimidin-6(1H)-ones were devoid of substrate or inhibitor activities. The potential use of these lipophilic pterins in the therapy of diseases where there is a deficiency of tetrahydrobiopterin is discussed.

European Journal of Medicinal Chemistry published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H14O2, COA of Formula: C8H16O2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics