| Identification | More | [Name]
Ethyl isovalerate | [CAS]
108-64-5 | [Synonyms]
3-METHYL BUTYRIC ETHYL ESTER
ETHYL 3-METHYLBUTANOATE
ETHYL BETA-METHYLBUTYRATE
ETHYL ISOPENTANOATE
ETHYL ISOVALERATE
FEMA 2463
ISOVALERIC ACID ETHYL ESTER
ISOVALERIC ACID:ETHYL ESTER
RARECHEM AL BI 0155
(CH3)2CHCH2C(O)OC2H5
3-Methylbutanoic acid ethyl ester
3-methylbutanoicacidethylester
3-methyl-butanoicacidethylester
3-Methylbutanoicacidetnylester
3-methyl-butanoicaciethylester
3-methylbutyricacidethylester
3-methyl-butyricacidethylester
3-methyl-butyricaciethylester
Butanoicacid,3-methyl-,ethylester
Butyric acid, 3-methyl-, ethyl ester | [EINECS(EC#)]
203-602-3 | [Molecular Formula]
C7H14O2 | [MDL Number]
MFCD00009203 | [Molecular Weight]
130.18 | [MOL File]
108-64-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pale yellowish liquid | [Melting point ]
-99 °C (lit.) | [Boiling point ]
131-133 °C (lit.) | [density ]
0.864 g/mL at 25 °C(lit.)
| [vapor pressure ]
7.5 mm Hg ( 20 °C)
| [FEMA ]
2463 | [refractive index ]
n20/D 1.396(lit.)
| [Fp ]
80 °F
| [storage temp. ]
Flammables area | [solubility ]
2.00g/l | [form ]
Liquid | [color ]
Clear colorless to pale yellow | [Odor]
at 10.00 % in dipropylene glycol. fruity sweet apple pineapple tutti frutti | [biological source]
synthetic | [Odor Threshold]
0.000013ppm | [Odor Type]
fruity | [Water Solubility ]
1.76g/L at 20℃ | [JECFA Number]
196 | [Merck ]
14,3816 | [BRN ]
1744677 | [Henry's Law Constant]
1.4×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
4.7（18℃） | [Stability:]
Volatile | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 | [InChIKey]
PPXUHEORWJQRHJ-UHFFFAOYSA-N | [SMILES]
CCOC(=O)CC(C)C | [LogP]
2.47 at 23.8℃ | [CAS DataBase Reference]
108-64-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-methyl-, ethyl ester(108-64-5) | [EPA Substance Registry System]
108-64-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210-P240-P241-P280a-P303+P361+P353-P501a | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
NY1504000
| [F ]
13 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29156000 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 | [Toxicity]
rabbit,LD50,oral,7031mg/kg (7031mg/kg),Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
| Hazard Information | Back Directory | [General Description]
A colorless oily liquid with a strong odor similar to apples. Less dense than water. Vapors heavier than air. Flash point 77°F. May mildly irritate skin and eyes. | [Reactivity Profile]
ETHYL ISOVALERATE 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. | [Air & Water Reactions]
Highly flammable. Slightly soluble in water. | [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. | [Chemical Properties]
clear colorless to pale yellowish liquid | [Chemical Properties]
Ethyl isovalerate has a strong, fruity, vinous, apple-like odor on dilution. | [Chemical Properties]
Ethyl Isovalerate is a colorless liquid
with a fruity odor reminiscent of blueberries. It occurs in fruits, vegetables, and
alcoholic beverages. It is used in fruit aroma compositions. | [Occurrence]
Reported found in pineapple, orange juice and peel oil, bilberry, blueberry, strawberry, Swiss cheese, other
cheeses, beer, cognac, rum, cider, whiskey, sherry, grape wines, cocoa, passion fruit, mango and mussels. | [Uses]
In alcohol solution for flavoring confectionery and beverages. | [Definition]
ChEBI: The fatty acid ethyl ester of isovaleric acid. | [Preparation]
By esterification of isovaleric acid with ethyl alcohol in the presence of concentrated H2SO4. | [Production Methods]
Ethyl isovalerate is produced by combining isovaleric acid
and ethanol in the presence of concentrated sulfuric acid or
hydrochloric acid ester followed by distillation . | [Aroma threshold values]
Detection: 0.01 to 0.4 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: fruity, sweet, estry and berry-like with a ripe, pulpy fruity nuance. | [Carcinogenicity]
Not listed by ACGIH, California
Proposition 65, IARC, NTP, or OSHA. | [Purification Methods]
Wash the ester with aqueous 5% Na2CO3, then saturated aqueous CaCl2. Dry it over CaSO4 and distil. [Beilstein 2 IV 898.] |
| Questions And Answer | Back Directory | [Description]
Ethyl isovalerate is the ethyl ester form of isovalerate formed between ethyl alcohol with isovaleric acid. It is a derivative of valeric acid, mainly found in fruits (one of the major component of blueberry). It is a kind of natural food flavoring agent with a fruity type odor and flavor. It is widely used in perfumery and fragrance. It is now frequently synthesized using surfactant-coated lipase (various kinds of origins) immobilized in magnetic nanoparticles.
| [References]
Luebke, William. "ethyl isovalerate108-64-5." (2015).
And, Hiannie Djojoputro, and S. Ismadji. "Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters." Journal of Chemical & Engineering Data 50.2(2005):págs. 727-731.
Mahmood, Iram, et al. "A surfactant-coated lipase immobilized in magnetic nanoparticles for multicycle ethyl isovalerate enzymatic production." Biochemical Engineering Journal 73.8(2013):72-79.
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jiliang chemicals
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Maya High Purity Chemicals
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