2-Pentanone, 4,4-dimethyl-


Chemical Name: 2-Pentanone, 4,4-dimethyl-
CAS Number: 590-50-1
Product Number: AG003KFU(AGN-PC-0JKA32)
Synonyms:
MDL No:
Molecular Formula: C7H14O
Molecular Weight: 114.1855

Identification/Properties


Properties
MP:
-64°C
BP:
126.0°C
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.404(lit.)
Computed Properties
Molecular Weight:
114.188g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
114.104g/mol
Monoisotopic Mass:
114.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
87.1
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:
Danger
UN#:
1224
Hazard Statements:
H225
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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