372-31-6

Name Ethyl 4,4,4-trifluoroacetoacetate
CAS 372-31-6
EINECS(EC#) 206-750-7
Molecular Formula C6H7F3O3
MDL Number MFCD00000424
Molecular Weight 184.11
MOL File 372-31-6.mol

Chemical Properties

Appearance Clear liquid
Melting point  -39 °C
Boiling point  129-130 °C(lit.)
density  1.259 g/mL at 25 °C(lit.)
vapor pressure  8hPa at 20℃
refractive index  n20/D 1.375(lit.)
Fp  84 °F
storage temp.  Flammables area
solubility  10g/l
form  Liquid
pka 7.76±0.10(Predicted)
color  Clear colorless to slightly yellow
Specific Gravity 1.259 (20/4℃)
PH 6.2 (10g/l, H2O, 20℃)
Water Solubility  10 g/L (20 ºC)
Usage Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet
Detection Methods GC
BRN  608353
InChI 1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey OCJKUQIPRNZDTK-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)C(F)(F)F
CAS DataBase Reference 372-31-6(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6)
EPA Substance Registry System 372-31-6(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302-H412
Precautionary statements  P210-P273-P301+P312+P330
Hazard Codes  Xn,F,C,Xi
Risk Statements 
R10:Flammable.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 3272 3/PG 3
WGK Germany  2
Hazard Note  Flammable/Corrosive
TSCA  T
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29183000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3
Flam. Liq. 3

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier