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Methyl isovalerate Structure

Methyl isovalerate

Chemical 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  n20/D 1.393(lit.)
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)

Safety Information

Hazard Codes  F
Risk Statements  11
Safety Statements  16
RIDADR  UN 2400
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

MSDS

Usage And Synthesis

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