79551-86-3

Name 20-HETE
CAS 79551-86-3
Molecular Formula C20H32O3
MDL Number MFCD00171542
Molecular Weight 320.47
MOL File 79551-86-3.mol
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Chemical Properties

Boiling point  482.0±33.0 °C(Predicted)
density  0.985±0.06 g/cm3(Predicted)
Fp  14℃
storage temp.  -20°C
solubility  0.1 M Na2CO3: 2 mg/ml; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
form  Powder
pka 4.75±0.10(Predicted)
InChI 1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
InChIKey NNDIXBJHNLFJJP-DTLRTWKJSA-N
SMILES OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319
Precautionary statements  P210-P305+P351+P338
Hazard Codes  F,Xi
Risk Statements 
Safety Statements 
RIDADR  UN 1170 3/PG 2
WGK Germany  3
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2

Hazard Information

Spectrum Detail

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