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Methyl isobutyrate Structure

Methyl isobutyrate

  • Product NameMethyl isobutyrate
  • CAS547-63-7
  • CBNumberCB4853804
  • MFC5H10O2
  • MW102.13
  • EINECS208-929-5
  • MDL NumberMFCD00008914
  • MOL File547-63-7.mol

Chemical Properties

Melting point: -85--84 °C
Boiling point: 90 °C (lit.)
Density  0.891 g/mL at 25 °C (lit.)
refractive index  n20/D 1.384(lit.)
FEMA  2694 | METHYL ISOBUTYRATE
Flash point: 38 °F
storage temp.  Flammables area
solubility  Slightly soluble in water, soluble in Propylene glycol, miscible with alcohol and oils
form  Liquid
color  Clear colorless
Specific Gravity 0.89
Odor at 10.00 % in dipropylene glycol. fruity floral apple pineapple
Odor Type fruity
Odor Threshold 0.0019ppm
biological source synthetic
Water Solubility  slightly soluble
Merck  14,6088
JECFA Number 185
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)
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)

Safety

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Danger
Hazard statements  H225
Precautionary statements  P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
REACH Registrations Active
Limited Quantities 1.0 L (0.3 gallon) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704:
4
0

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Methyl isobutyrate Chemical Properties,Usage,Production

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