Molecular Structure of (3R,6R)-3,6-Octanediol (129619-37-0):

IUPAC Name: (3R,6R)-octane-3,6-diol
Molecular Formula: C₈H₁₈O₂
Molecular Weight: 146.227320 g/mol
XLogP3-AA: 1.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Freely Rotating Bonds: 7
Canonical SMILES: CCC(CCC(CC)O)O
Isomeric SMILES: CC[C@H](CC[C@@H](CC)O)O
InChI: InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey: BCKOQWWRTRBSGR-HTQZYQBOSA-N
Index of Refraction: 1.45
Molar Refractivity: 42.09 cm³
Molar Volume: 156.3 cm³
Surface Tension: 34.3 dyne/cm
Density: 0.935 g/cm³
Flash Point: 124.5 °C
Boiling Point: 240.8 °C at 760 mmHg
Enthalpy of Vaporization: 55.52 kJ/mol
Vapour Pressure: 0.00645 mmHg at 25 °C
Water Solubility: 3389 mg/L at 25 °C

Safety Information of (3R,6R)-3,6-Octanediol (129619-37-0):
Safety Statements: 24/25
24/25: Avoid contact with skin and eyes
WGK Germany: 3

  (3R,6R)-3,6-Octanediol (129619-37-0) is a chiral compound with appearance of off-white needle-like crystal. It is also known as (3R,6R)-Dihydroxyoctane ; (3R,6R)-Octane-3,6-diol ; (3R,6R)-3,6-Dihydroxyoctane ; (3R,6R)-(-)-3,6-Octanediol ; (3R,6R)-(-)-3,6-Octanediol , 99% ; (3R,6R)-3,6-Octanediol, 95%, (98% ee) .