Cyclohexanone, 3,3,5-trimethyl-


Chemical Name: Cyclohexanone, 3,3,5-trimethyl-
CAS Number: 873-94-9
Product Number: AG004JV7(AGN-PC-0JKB54)
Synonyms:
MDL No:
Molecular Formula: C9H16O
Molecular Weight: 140.2227

Identification/Properties


Properties
MP:
-10 °C
BP:
188.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
140.226g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
140.12g/mol
Monoisotopic Mass:
140.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
1993
Hazard Statements:
H227-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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