Methyl isobutyrate Structure

Methyl isobutyrate

Chemical Properties

Melting point −85 °C (−121 °F; 188 K)
Boiling point 99–100 °C (210–212 °F; 372–373 K)
Density  0.895 g/cm3
FLAVIS Number 09.412 | Methyl isobutyrate
refractive index  1.38
FEMA  2694 | METHYL ISOBUTYRATE
Flash point 13 °C
storage temp.  Flammables area
solubility  Slightly soluble in water, soluble in Propylene glycol, miscible with alcohol and oils
form  liquid
color  Colorless
Specific Gravity 0.89
Odor at 10.00 % in dipropylene glycol. fruity floral apple pineapple
Odor Type fruity
biological source synthetic
Odor Threshold 0.0019ppm
Water Solubility  slightly soluble
JECFA Number 185
Merck  14,6088
BRN  1740720
Henry's Law Constant 2.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Major Application flavors and fragrances
InChI 1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey BHIWKHZACMWKOJ-UHFFFAOYSA-N
SMILES COC(=O)C(C)C
LogP 1.06
CAS DataBase Reference 547-63-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) METHYL ISOBUTYRATE
FDA 21 CFR 172.515
FDA UNII EM286QL922
NIST Chemistry Reference Propanoic acid, 2-methyl-, methyl ester(547-63-7)
EPA Substance Registry System Propanoic acid, 2-methyl-, methyl ester (547-63-7)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordDanger
Hazard statements H225
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Hazard Codes  F,Xi,Xn
Risk Statements  11-36/37/38-20-2017/11/20
Safety Statements  16-37/39-26-24/25
RIDADR  UN 1237 3/PG 2
WGK Germany  3
RTECS  NQ5425000
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29156000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
NFPA 704:
4
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