2,5-Hexanedione


Chemical Name: 2,5-Hexanedione
CAS Number: 110-13-4
Product Number: AG003G1A(AGN-PC-0D783O)
Synonyms:
MDL No:
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Properties
MP:
−6-−5 °C(lit.)
BP:
188.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.425(lit.)
Solubility:
alcohol: miscible
Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
91.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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-H350-H360
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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