1-Hexanol, 4-methyl-, (4S)-


Chemical Name: 1-Hexanol, 4-methyl-, (4S)-
CAS Number: 1767-46-0
Product Number: AG0024UK(AGN-PC-0O508N)
Synonyms:
MDL No:
Molecular Formula: C7H16O
Molecular Weight: 116.2013

Identification/Properties


Properties
BP:
126 °C / 140mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
7.5 ° (C=neat)
Computed Properties
Molecular Weight:
116.204g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
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:
43.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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-H302
Precautionary Statements:
P501-P210-P280-P370+P378-P403+P235
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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