2091-39-6

Name 11C,14C-EICOSADIENOIC ACID
CAS 2091-39-6
Molecular Formula C20H36O2
MDL Number MFCD00673431
Molecular Weight 308.5
MOL File 2091-39-6.mol
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Chemical Properties

Boiling point  198 °C0.08 mm Hg(lit.)
density  0.905±0.06 g/cm3(Predicted)
Fp  62 °C
storage temp.  −20°C
solubility  0.15 M Tris-HCl pH 8.5: >1 mg/ml (from Oleic Acid); DMF: >100 mg/ml (from Oleic Acid); DMSO: >100 mg/ml (from Oleic Acid); Ethanol: >100 mg/ml (from Oleic Acid); PBS pH 7.2: <100 μg/ml (from Oleic Acid)
form  liquid
pka 4.78±0.10(Predicted)
color  Colorless to light yellow
biological source plant
Major Application food and beverages
InChI 1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKey XSXIVVZCUAHUJO-HZJYTTRNSA-N
SMILES CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O
CAS DataBase Reference 2091-39-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319
Precautionary statements  P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
RIDADR  NA 1993 / PGIII
WGK Germany  3
Storage Class 10 - Combustible liquids

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