556-24-1

Name Methyl isovalerate
CAS 556-24-1
EINECS(EC#) 209-117-3
Molecular Formula C6H12O2
MDL Number MFCD00042866
Molecular Weight 116.16
MOL File 556-24-1.mol

Chemical Properties

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
Specific Gravity 0.88
Odor at 10.00 % in dipropylene glycol. strong apple fruity pineapple
biological source synthetic
Odor Threshold 0.0022ppm
Odor Type fruity
Water Solubility  insoluble
JECFA Number 195
Merck  14,6093
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 556-24-1(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Danger
Hazard statements  H225
Precautionary statements  P210
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
13
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier