1,2,6-Hexanetriol - CAS 106-69-4

Technical Data

IUPAC Name:	hexane-1,2,6-triol
Description:	1,2,6-Hexanetriol (CAS# 106-69-4) is a useful research chemical.
Molecular Weight:	134.17
Molecular Formula:	C6H14O3
Canonical SMILES:	C(CCO)CC(CO)O
InChI:	InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
InChI Key:	ZWVMLYRJXORSEP-UHFFFAOYSA-N
Boiling Point:	178 °C (6.7 mmHg)
Melting Point:	25-32 °C
Flash Point:	198°C
Purity:	96 %
Density:	1.109 g/cm³
Solubility:	Miscible in water and acetone. Soluble in methanol.
Appearance:	Clear light yellow coloured, viscous liquid (*)
Storage:	2-8 °C
MDL:	MFCD00002976
LogP:	-0.49780
Refractive Index:	1.475-1.477
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides.
Vapor Pressure:	0.0000791 [mmHg]

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PMID	Publication Date	Title	Journal
22004354	20111206	Enhanced stability of Janus nanoparticles by covalent cross-linking of surface ligands	Langmuir : the ACS journal of surfaces and colloids
21438054	20110404	Poly(meth)acrylates obtained by cascade reaction	Macromolecular rapid communications
21159331	20110201	Thermal glycosylation and degradation reactions occurring at the reducing ends of cellulose during low-temperature pyrolysis	Carbohydrate research
20481725	20100401	Dynamics and structure of hydrogen-bonding glass formers: comparison between hexanetriol and sugar alcohols based on dielectric relaxation	Physical review. E, Statistical, nonlinear, and soft matter physics
18703844	20080901	High-molecular-weight polymers for protein crystallization: poly-gamma-glutamic acid-based precipitants	Acta crystallographica. Section D, Biological crystallography

Complexity:	56.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.094294304
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	134.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7