1-Heptanol, 2,6-dimethyl-


Chemical Name: 1-Heptanol, 2,6-dimethyl-
CAS Number: 2768-12-9
Product Number: AG002UFH(AGN-PC-00AXX0)
Synonyms:
MDL No:
Molecular Formula: C9H20O
Molecular Weight: 144.2545

Identification/Properties


Properties
BP:
82.5-84.0 °C(Press: 8 Torr)
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
144.258g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
144.151g/mol
Monoisotopic Mass:
144.151g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
69.1
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



2,6-Dimethyl-1-heptanol is a versatile compound widely used in chemical synthesis as a valuable building block. Its unique structure, containing a heptane backbone with two methyl groups positioned at the 2 and 6 positions, makes it a valuable intermediate in various reactions. In organic synthesis, this compound can serve as a precursor for the preparation of fragrances, pharmaceuticals, and other fine chemicals. Its branched structure can provide stereochemical control in reactions, leading to the formation of specific chiral compounds. Additionally, 2,6-Dimethyl-1-heptanol can be used as a functional group modifier, allowing for the introduction of specific chemical functionalities into target molecules. Its versatility and utility in synthetic chemistry make it a valuable asset for researchers and chemists working in organic synthesis and medicinal chemistry.