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Isobutyl isobutyrate Structure

Isobutyl isobutyrate

Chemical Properties

Melting point ?81 °C (lit.)
Boiling point 145-152 °C (lit.)
Density  0.855 g/mL at 25 °C (lit.)
vapor pressure  1 mm Hg ( 39.9 °C)
refractive index  n20/D 1.398(lit.)
FEMA  2189 | ISOBUTYL ISOBUTYRATE
Flash point 99 °F
storage temp.  Flammables area
solubility  Insoluble in water, miscible with alcohol and oils.
form  Liquid
color  Clear
PH 7 (H2O)
Odor Sweet-fruity, but also rather harsh-Pine-apple-like, diffusive-ethereal odor.
Odor Threshold 0.075ppm
Odor Type fruity
explosive limit 1.2%(V)
Water Solubility  Soluble in water (1 g/L at 20oc).
Merck  14,5145
JECFA Number 194
BRN  1701355
LogP 3.17 at 20℃
Substances Added to Food (formerly EAFUS) ISOBUTYL ISOBUTYRATE
FDA 21 CFR 172.515
CAS DataBase Reference 97-85-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII Y495J99R5D
NIST Chemistry Reference Propanoic acid, 2-methyl-, 2-methylpropyl ester(97-85-8)
EPA Substance Registry System Isobutyl isobutyrate (97-85-8)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P370+P378
Hazard Codes  Xi
Risk Statements  10-36/37/38
Safety Statements  16-26-36
RIDADR  UN 2528 3/PG 3
WGK Germany  2
RTECS  NQ5250000
Autoignition Temperature 810 °F
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29159000
Hazardous Substances Data 97-85-8(Hazardous Substances Data)
NFPA 704:
2
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