4-Heptanone, 3-methyl-


Chemical Name: 4-Heptanone, 3-methyl-
CAS Number: 15726-15-5
Product Number: AG001PCM(AGN-PC-0JKJGI)
Synonyms:
MDL No:
Molecular Formula: C8H16O
Molecular Weight: 128.2120

Identification/Properties


Properties
MP:
-32.24°C (estimate)
BP:
159.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4100 to 1.4130
Computed Properties
Molecular Weight:
128.215g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
128.12g/mol
Monoisotopic Mass:
128.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
86.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-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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