54450-84-9

Name CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER
CAS 54450-84-9
Molecular Formula C8H12O4
MDL Number MFCD10699115
Molecular Weight 172.18
MOL File 54450-84-9.mol

Chemical Properties

Boiling point  228.5-229.5 °C(Press: 765 Torr)
density  1.117 g/mL at 25 °C
refractive index  n20/D1.451
Fp  >110℃
storage temp.  Storage temp. 2-8°C
form  liquid
pka 3.00±0.20(Predicted)
Appearance Colorless to light yellow Liquid
InChI 1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10)
InChIKey XYHZRSFKDSWLHW-UHFFFAOYSA-N
SMILES CCOC(=O)C1(CCC1)C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements 
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  2917200090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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