Isooctanol


Chemical Name: Isooctanol
CAS Number: 1653-40-3
Product Number: AG001W2G(AGN-PC-0JKCAY)
Synonyms:
MDL No:
Molecular Formula: C8H18O
Molecular Weight: 130.2279

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
130.231g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
130.136g/mol
Monoisotopic Mass:
130.136g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
50.5
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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