5-Hepten-2-one, 6-methyl-


Chemical Name: 5-Hepten-2-one, 6-methyl-
CAS Number: 110-93-0
Product Number: AG003NAI(AGN-PC-0JK9AZ)
Synonyms:
MDL No:
Molecular Formula: C8H14O
Molecular Weight: 126.1962

Identification/Properties


Properties
MP:
-67.1 °C
BP:
73°C at 18 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.439(lit.)
Solubility:
Soluble in methanol and chloroform.
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
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:
119
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
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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