123931-40-8

Name (±)11(12)-EET
CAS 123931-40-8
EINECS(EC#) 200-578-6
Molecular Formula C20H32O3
MDL Number MFCD00132914
Molecular Weight 320.47
MOL File 123931-40-8.mol

Chemical Properties

Boiling point  461.8±33.0 °C(Predicted)
density  0.983±0.06 g/cm3(Predicted)
Fp  9℃
storage temp.  -20°C
solubility  DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 1 mg/ml
form  Liquid
pka 4.75±0.10(Predicted)
color  Colorless to light yellow
InChI 1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+
InChIKey DXOYQVHGIODESM-ATELOPIESA-N
SMILES CCCCC\C=C\CC1OC1C\C=C\C\C=C\CCCC(O)=O

Safety Data

Hazard Codes  F
Risk Statements 
Safety Statements 
RIDADR  UN1170 - class 3 - PG 2 - Ethanol, solution
WGK Germany  1
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2

Hazard Information

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