2050-01-3

Name Isopentyl isobutyrate
CAS 2050-01-3
EINECS(EC#) 218-078-1
Molecular Formula C9H18O2
MDL Number MFCD00053719
Molecular Weight 158.24
MOL File 2050-01-3.mol

Chemical Properties

Appearance colourless liquid with a fruity smell
Melting point  -73°C (estimate)
Boiling point  169-171 °C(lit.)
density  0.856 g/mL at 25 °C(lit.)
FEMA  3507
refractive index  n20/D 1.406(lit.)
Fp  129 °F
storage temp.  Store at room temperature
Water Solubility  Insoluble in water
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
biological source synthetic
Odor Type fruity
JECFA Number 49
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
SMILES CC(C)CCOC(=O)C(C)C
LogP 3.17
CAS DataBase Reference 2050-01-3(CAS DataBase Reference)
NIST Chemistry Reference Iso-amyl iso-butyrate(2050-01-3)
EPA Substance Registry System 2050-01-3(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
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 2620 3/PG 3
WGK Germany  3
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier