Cyclohexanone, 3,3-dimethyl-


Chemical Name: Cyclohexanone, 3,3-dimethyl-
CAS Number: 2979-19-3
Product Number: AG0032AG(AGN-PC-0JLPY5)
Synonyms:
MDL No:
Molecular Formula: C8H14O
Molecular Weight: 126.1962

Identification/Properties


Properties
MP:
9.25°C (estimate)
BP:
170.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.449(lit.)
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
126.104g/mol
Monoisotopic Mass:
126.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
125
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:
Danger
UN#:
1224
Hazard Statements:
H226-H318
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P305+P351+P338+P310-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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