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Isobutyl butyrate Structure

Isobutyl butyrate

Chemical Properties

Melting point -88.07°C (estimate)
Boiling point 157-158 °C(lit.)
Density  0.861 g/mL at 25 °C(lit.)
vapor density  5 (vs air)
refractive index  n20/D 1.403(lit.)
FEMA  2187 | ISOBUTYL BUTYRATE
Flash point 114 °F
solubility  Very slightly soluble in water, miscible with alcohol and oils
color  Colorless to Almost colorless
Odor at 100.00 %. sweet fruity pineapple tutti frutti rum cherry apple overripe fruit bubble gum
Odor Type fruity
biological source synthetic
Odor Threshold 0.0016ppm
Merck  14,5136
JECFA Number 158
Henry's Law Constant 1.3×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant 4.0(20℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey RGFNRWTWDWVHDD-UHFFFAOYSA-N
SMILES CCCC(=O)OCC(C)C
LogP 2.76
CAS DataBase Reference 539-90-2(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 2-methylpropyl ester(539-90-2)
EPA Substance Registry System Isobutyl butyrate (539-90-2)

Safety Information

Hazard Codes  N
Risk Statements  10-50/53-52/53
Safety Statements  16-27-36/37/39-61-60
RIDADR  UN 3272 3/PG 3
WGK Germany  2
RTECS  ET5020000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29156000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Flam. Liq. 3

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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