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Isopentyl isobutyrate Structure

Isopentyl isobutyrate

  • Product NameIsopentyl isobutyrate
  • CAS2050-01-3
  • CBNumberCB6131315
  • MFC9H18O2
  • MW158.24
  • EINECS218-078-1
  • MDL NumberMFCD00053719
  • MOL File2050-01-3.mol

Chemical Properties

Melting point: -73°C (estimate)
Boiling point: 169-171 °C(lit.)
Density  0.856 g/mL at 25 °C(lit.)
refractive index  n20/D 1.406(lit.)
FEMA  3507 | 3-METHYLBUTYL 2-METHYLPROPANOATE
Flash point: 129 °F
storage temp.  Store at room temperature
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa
Odor Type fruity
biological source synthetic
Water Solubility  Insoluble in water, miscible with alcohol, solubie in essential oils, perfume and flavor materials.
JECFA Number 49
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
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 Isopentyl isobutyrate (2050-01-3)

Safety

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P240-P241-P280a-P303+P361+P353-P501a
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements  10
Safety Statements  16
RIDADR  UN 2620 3/PG 3
WGK Germany  3
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
0 0

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Isopentyl isobutyrate Chemical Properties,Usage,Production

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