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136705-66-3

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136705-66-3 Structure

136705-66-3 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack Directory
[Chemical Properties]

white needle-like crystals
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

24/25
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