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(3S,6S)-3,6-Octanediol Structure

(3S,6S)-3,6-Octanediol

  • Product Name(3S,6S)-3,6-Octanediol
  • CAS136705-66-3
  • CBNumberCB0689975
  • MFC8H18O2
  • MW146.23
  • MDL NumberMFCD01631088
  • MOL File136705-66-3.mol

Chemical Properties

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

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements  24/25
HS Code  2905399090

(3S,6S)-3,6-Octanediol Chemical Properties,Usage,Production

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