2-Butanone, 4,4-dimethoxy-


Chemical Name: 2-Butanone, 4,4-dimethoxy-
CAS Number: 5436-21-5
Product Number: AG00I9PK(AGN-PC-0JO7IC)
Synonyms:
MDL No:
Molecular Formula: C6H12O3
Molecular Weight: 132.1577

Identification/Properties


Properties
MP:
-82 °C
BP:
172.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.414(lit.)
Computed Properties
Molecular Weight:
132.159g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
132.079g/mol
Monoisotopic Mass:
132.079g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
86.3
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#:
1989
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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