| Identification | More | [Name]
Methyl isovalerate | [CAS]
556-24-1 | [Synonyms]
2-methylbutanoic acid methyl ester
2-METHYLBUTYL ISOVALERATE
FEMA 2753
ISOVALERIC ACID METHYL ESTER
METHYL 2-METHYLBUTYRATE
METHYL BETA-METHYL BUTYRATE
METHYL ISOPENTANOATE
METHYL ISOVALERATE
METHYL ISO VALERIANATE
3-Methylbutanoic acid methyl ester
3-methyl-butanoicacidmethylester
3-methyl-butanoicacimethylester
3-methyl-butyricacidmethylester
Butanoicacid,3-methyl-,methylester
Methyl 3-methylbutanoate
Methyl 3-methylbutyrate
methyl3-methylbutanoate
methyl3-methylbutyrate
Isovaleric acid methyl ester~3-Methylbutyric acid methyl ester~Methyl isopentanoate~Methyl 3-methylbutyrate
METHYL ISOVALERATE 99+% | [EINECS(EC#)]
209-117-3 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00042866 | [Molecular Weight]
116.16 | [MOL File]
556-24-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear slightly yellow liquid | [Melting point ]
-91°C (estimate) | [Boiling point ]
114-115 °C (lit.) | [density ]
0.881 g/mL at 25 °C(lit.)
| [FEMA ]
2753 | [refractive index ]
n20/D 1.393(lit.)
| [Fp ]
58 °F
| [solubility ]
soluble in Chloroform, Ethyl Acetate | [form ]
neat | [color ]
Colorless to Almost colorless | [Odor]
at 10.00 % in dipropylene glycol. strong apple fruity pineapple | [Odor Threshold]
0.0022ppm | [Odor Type]
fruity | [Water Solubility ]
insoluble | [JECFA Number]
195 | [Merck ]
14,6093 | [BRN ]
1699922 | [LogP]
1.59 | [CAS DataBase Reference]
556-24-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-methyl-, methyl ester(556-24-1) | [EPA Substance Registry System]
556-24-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F | [Risk Statements ]
R11:Highly Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 2400 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
NY1510000
| [F ]
13 | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29159000 |
| Hazard Information | Back Directory | [General Description]
A colorless liquid. Flash point below 70°F. Less dense than water and insoluble in water. Vapors heavier than air. May be slightly toxic by ingestion and inhalation. Used to make other chemicals. | [Reactivity Profile]
METHYL ISOVALERATE(556-24-1) 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. Insoluble in water. | [Health Hazard]
May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | [Fire Hazard]
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [Description]
Methyl isovalerate has a strong, pungent, apple-like odor and a
bitter flavor. It may be prepared by esterification of isovaleric acid
with methyl alcohol at the boil in the presence of concentrated H2SON4. | [Chemical Properties]
clear slightly yellow liquid | [Chemical Properties]
Methyl isovalerate has a strong, pungent, apple-like odor and a bitter flavor. This compound is also reported to have an
herbaceous, fruity odor. | [Occurrence]
Reported found in the juice of a few varieties of Florida oranges, pineapple, apple, banana, bilberry, blueberry,
strawberry, melon, peas, peppermint oil, pepper, blue, Gruyere and parmesan cheese, coffee, honey, olive, mushroom, jackfruit,
cherimoya, sage, custard apple, nectarine, lamb’s lettuce and cape gooseberry | [Uses]
Isovaleric Acid Methyl Ester is a volatile compound found in Albion and Juliette strawberry fruits that contributes to the flavor of the fruit. | [Definition]
ChEBI: Methyl 3-methylbutanoate is a fatty acid ester. | [Preparation]
By esterification of isovaleric acid with methyl alcohol at the boil in the presence of concentrated H2SO4. | [Aroma threshold values]
Detection: 4.4 to 44 ppb | [Taste threshold values]
Taste characteristics at 80 ppm: fruity, pineapple, apple with a juicy, fruit-like nuance | [Synthesis Reference(s)]
Tetrahedron Letters, 8, p. 4805, 1967 DOI: 10.1016/S0040-4039(01)89607-6 |
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