2,4-Pentanedione, 3-ethyl-


Chemical Name: 2,4-Pentanedione, 3-ethyl-
CAS Number: 1540-34-7
Product Number: AG003JE8(AGN-PC-0JLB6A)
Synonyms:
MDL No:
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Properties
MP:
26.25℃ (estimate)
BP:
178.5°C
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
113
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:
H227-H315-H319-H335
Precautionary Statements:
P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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