136705-66-3

Name (3S,6S)-3,6-OCTANEDIOL
CAS 136705-66-3
Molecular Formula C8H18O2
MDL Number MFCD01631088
Molecular Weight 146.23
MOL File 136705-66-3.mol

Chemical Properties

Appearance white needle-like crystals
Melting point  49-51°C
alpha  +15° (c 10, ethanol)
Boiling point  243.79°C (rough estimate)
density  0.9636 (rough estimate)
refractive index  1.4411 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
form  crystal
pka 14.86±0.20(Predicted)
color  colorless
InChI InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey BCKOQWWRTRBSGR-YUMQZZPRSA-N
SMILES CC[C@H](O)CC[C@@H](O)CC
CAS DataBase Reference 136705-66-3

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements 

Hazard Information

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