Product Name

  • Name

    Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

  • EINECS
  • CAS No. 571-55-1
  • Article Data38
  • CAS DataBase
  • Density 1.235
  • Solubility
  • Melting Point
  • Formula C9H11 F3 O4
  • Boiling Point 80-82 ºC (1 mmHg)
  • Molecular Weight 240.179
  • Flash Point 104 ºC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R22;R36/37/38   
  • Molecular Structure Molecular Structure of 571-55-1 (Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate)
  • Hazard Symbols
  • Synonyms Acetoaceticacid, 2-(ethoxymethylene)-4,4,4-trifluoro-, ethyl ester (8CI); 2-Ethoxymethylene-3-oxo-4,4,4-trifluorobutyricacid ethyl ester; 2-Ethoxymethylene-4,4,4-trifluoroacetoacetic acid ethylester; Ethyl 2-(Ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate; Ethyl2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate; Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate;Ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate; Ethyl3-(ethyloxy)-2-(trifluoroacetyl)-2-propenoate
  • PSA 52.60000
  • LogP 1.60130

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate Chemical Properties

Molecular Structure of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1):

IUPAC Name: Ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
Molecular Formula: C9H11F3O4
Molecular Weight: 240.18 
Index of Refraction: 1.406
Molar Refractivity: 47.65 cm3
Molar Volume: 193.8 cm3
Surface Tension: 28.1 dyne/cm
Density: 1.238 g/cm3
Flash Point: 79.7 °C
Enthalpy of Vaporization: 44.79 kJ/mol
Boiling Point: 211.6 °C at 760 mmHg
Vapour Pressure: 0.181 mmHg at 25 °C 
Product Categories: Small molecule; C8 to C9; Carbonyl Compounds; Esters
Canonical SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
Isomeric SMILES: CCO/C=C(\C(=O)C(F)(F)F)/C(=O)OCC
InChI: InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChIKey: XNGGOXOLHQANRB-AATRIKPKSA-N

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate Safety Profile

Safety Information of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1):
Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 36/37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39-23 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S23:Do not breathe vapour. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate Specification

 Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1), its Synonyms are Butanoic acid,2-(ethoxymethylene)-4,4,4-trifluoro-3-oxo-, ethyl ester ; Acetoaceticacid, 2-(ethoxymethylene)-4,4,4-trifluoro-, ethyl ester (8CI) ; 2-Ethoxymethylene-3-oxo-4,4,4-trifluorobutyricacid ethyl ester ; 2-Ethoxymethylene-4,4,4-trifluoroacetoacetic acid ethylester ; Ethyl 2-(Ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate ; Ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate .

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