2,5-Hexanediol, (2S,5S)-


Chemical Name: 2,5-Hexanediol, (2S,5S)-
CAS Number: 34338-96-0
Product Number: AG003BPO(AGN-PC-0O94PN)
Synonyms:
MDL No:
Molecular Formula: C6H14O2
Molecular Weight: 118.1742

Identification/Properties


Properties
MP:
50-53 °C(lit.
BP:
218.0°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4428 (estimate)
Computed Properties
Molecular Weight:
118.176g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
118.099g/mol
Monoisotopic Mass:
118.099g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
46.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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