1,3-Cyclohexanedione, 5,5-dimethyl-


Chemical Name: 1,3-Cyclohexanedione, 5,5-dimethyl-
CAS Number: 126-81-8
Product Number: AG000QON(AGN-PC-0JKLVE)
Synonyms:
MDL No:
Molecular Formula: C8H12O2
Molecular Weight: 140.1797

Identification/Properties


Properties
MP:
146-148 °C
BP:
233.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4787 (estimate)
Solubility:
4.01g/l
Computed Properties
Molecular Weight:
140.182g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
140.084g/mol
Monoisotopic Mass:
140.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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