136705-66-3

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136705-66-3 Structure

Identification	Back Directory
[Name] (3S,6S)-3,6-OCTANEDIOL
[CAS] 136705-66-3
[Synonyms] (3S,6S)-3,6-OCTANEDIOL (3S,6S)-DIHYDROXYOCTANE (3S,6S)-OCTANE-3,6-DIOL (3S,6S)-(+)-3,6-OCTANEDIOL (3S,6S)-(+)-3,6-Octanediol,99% (3S,6S)-3,6-OCTANEDIOL, 95%, (98% EE)
[Molecular Formula] C8H18O2
[MDL Number] MFCD01631088
[MOL File] 136705-66-3.mol
[Molecular Weight] 146.23

Chemical Properties	Back Directory
[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

Hazard Information	Back Directory
[Chemical Properties] white needle-like crystals

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[Safety Statements ] 24/25

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