A5605312
Methyl Isovalerate , >98.0%(GC) , 556-24-1
CAS NO.：556-24-1
Empirical Formula: C6H12O2
Molecular Weight: 116.16
MDL number: MFCD00042866
EINECS: 209-117-3
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -91°C (estimate) |
| Boiling point: | 114-115 °C (lit.) |
| Density | 0.881 g/mL at 25 °C (lit.) |
| FEMA | 2753 | METHYL ISOVALERATE |
| refractive index | n |
| Flash point: | 58 °F |
| solubility | soluble in Chloroform, Ethyl Acetate |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.88 |
| Odor | at 10.00 % in dipropylene glycol. strong apple fruity pineapple |
| Odor Type | fruity |
| Odor Threshold | 0.0022ppm |
| biological source | synthetic |
| Water Solubility | insoluble |
| Merck | 14,6093 |
| JECFA Number | 195 |
| BRN | 1699922 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | OQAGVSWESNCJJT-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(C)C |
| 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 | Butanoic acid, 3-methyl-, methyl ester (556-24-1) |
Description and Uses
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.
Isovaleric Acid Methyl Ester is a volatile compound found in Albion and Juliette strawberry fruits that contributes to the flavor of the fruit.
Safety
| Symbol(GHS) |  GHS02 |
| Signal word | Danger |
| Hazard statements | H225 |
| Precautionary statements | P210 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | F |
| Risk Statements | 11 |
| Safety Statements | 16 |
| RIDADR | UN 2400 3/PG 2 |
| WGK Germany | 3 |
| RTECS | NY1510000 |
| F | 13 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29159000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 |
