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Cas Database |
| Name |
(3R,6R)-3,6-Octanediol |
EINECS | N/A |
| CAS No. | 129619-37-0 | Density | 0.935 g/cm3 |
| PSA | 40.46000 | LogP | 1.30840 |
| Solubility | N/A | Melting Point |
49-51°C |
| Formula | C8H18O2 | Boiling Point | 240.796 °C at 760 mmHg |
| Molecular Weight | 146.23 | Flash Point | 124.532 °C |
| Transport Information | N/A | Appearance | off-white needle-like crystals |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(3R,6R)-DIHYDROXYOCTANE;(3R,6R)-OCTANE-3,6-DIOL;(3R,6R)-3,6-DIHYDROXYOCTANE;(3R,6R)-(-)-3,6-OCTANEDIOL;(3R,6R)-3,6-OCTANEDIOL;(3R,6R)-(-)-3,6-Octanediol,99%;(3R,6R)-3,6-OCTANEDIOL, 95%, (98% EE) |
Article Data | 4 |
(3R,6R)-3,6-Octanediol Chemical Properties
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
(3R,6R)-3,6-Octanediol Safety Profile
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 Specification
(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) .
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