Ethyl isovalerate is an ester compound with a fruity, apple-like odor. It is commonly found in natural sources such as apples, pears, and grapes. It is synthesized through the esterification reaction of isovaleric acid with ethanol. The reaction is typically catalyzed by an acid, such as sulfuric acid. Ethyl isovalerate is used in various applications, including flavoring agents in food and beverages, perfumery, and as a solvent. Research into ethyl isovalerate focuses on its potential applications in the food industry, particularly in the development of novel flavorings and aromas. Its fruity aroma and flavor make it a valuable ingredient in artificial fruit flavors and essences. Furthermore, studies investigate its potential therapeutic effects, including its ability to modulate neuronal activity and its potential as an anticonvulsant agent. The compound's stability, pleasant aroma, and potential bioactivity contribute to ongoing research into its properties and applications.'
ethyl isovalerate : The fatty acid ethyl ester of isovaleric acid. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 7945 |
| CHEMBL ID | 3183097 |
| CHEBI ID | 31571 |
| SCHEMBL ID | 27828 |
| MeSH ID | M0452046 |
| Synonym |
|---|
| LS-13340 |
| ethyl isopentanoate |
| brn 1744677 |
| butyric acid, 3-methyl-, ethyl ester |
| ethyl beta-methylbutyrate |
| butyric acid, 3-methyl-, ethyl ester (6ci,7ci,8ci) |
| ethyl isovalerianate |
| fema no. 2463 |
| ethyl isovalerate (natural) |
| ai3-21996 |
| ccris 1345 |
| einecs 203-602-3 |
| 3-methylbutyric acid ethyl ester |
| nsc 8869 |
| ethyl 3-methylbutyrate |
| nsc-8869 |
| wln: 2ov1y1 & 1 |
| ethyl 3-methylbutanoate |
| nsc8869 |
| isovaleric acid, ethyl ester |
| butanoic acid, 3-methyl-, ethyl ester |
| 108-64-5 |
| ethyl isovalerate |
| ethyl isovalerate, >=98%, fcc, fg |
| ethyl isovalerate, natural, >=98%, fcc, fg |
| ethyl isovalerate, 98% |
| ethylisovalerate |
| inchi=1/c7h14o2/c1-4-9-7(8)5-6(2)3/h6h,4-5h2,1-3h3 |
| ppxuheorwjqrhj-uhfffaoysa- |
| I0194 |
| isovaleric acid ethyl ester |
| NCGC00248327-01 |
| ethyl 3-methyl-butanoate |
| LMFA07010511 |
| we(2:0/4:0(3me)) |
| dtxsid3047057 , |
| cas-108-64-5 |
| tox21_301194 |
| NCGC00255092-01 |
| dtxcid1027057 |
| AKOS008947869 |
| 9zz5597636 , |
| unii-9zz5597636 |
| FT-0626198 |
| FT-0627532 |
| isopentanoic acid ethyl ester |
| ethyl isovalerate [mi] |
| ethyl isovalerate [fhfi] |
| ethyl isovalerate [fcc] |
| 3-methylbutanoic acid ethyl ester |
| SCHEMBL27828 |
| 3-methyl-butyric acid ethyl ester |
| 3-methyl-butanoic acid ethyl ester |
| CHEBI:31571 , |
| (ch3)2chch2c(o)oc2h5 |
| ethyl iso-pentanoate |
| ethyl iso-valerate |
| CHEMBL3183097 |
| J-002174 |
| F1905-7028 |
| ethyl isovalerate, analytical standard |
| mfcd00009203 |
| ethyl isovalerate, purum, >=97.0% (gc) |
| fema 2463 |
| Q2815995 |
| ethyl isovalerate(isovaleric acid ethyl ester) |
| Role | Description |
|---|---|
| metabolite | Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| fatty acid ethyl ester | A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with ethanol. |
| olefinic compound | Any organic molecular entity that contains at least one C=C bond. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 45.8415 | 0.0060 | 38.0041 | 19,952.5996 | AID1159523 |
| peroxisome proliferator-activated receptor delta | Homo sapiens (human) | Potency | 0.1096 | 0.0010 | 24.5048 | 61.6448 | AID743215 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (25.00) | 29.6817 |
| 2010's | 0 (0.00) | 24.3611 |
| 2020's | 3 (75.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.
| This Compound (43.53) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||