2-Hexanol, 5-methyl-


Chemical Name: 2-Hexanol, 5-methyl-
CAS Number: 627-59-8
Product Number: AG003MV4(AGN-PC-0JKAJ5)
Synonyms:
MDL No:
Molecular Formula: C7H16O
Molecular Weight: 116.2013

Identification/Properties


Properties
MP:
-30.45°C (estimate)
BP:
148-150 °C(lit.)
Form:
Liquid
Refractive Index:
n20/D 1.417(lit.)
Computed Properties
Molecular Weight:
116.204g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
116.12g/mol
Monoisotopic Mass:
116.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
50.3
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#:
1987
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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