Octanol


Chemical Name: Octanol
CAS Number: 111-87-5
Product Number: AG003OOY(AGN-PC-00TQ09)
Synonyms:
MDL No:
Molecular Formula: C8H18O
Molecular Weight: 130.2279

Identification/Properties


Properties
MP:
−15 °C(lit.)
BP:
195.1°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.429(lit.)
Solubility:
water: partially soluble107g/L at 23°C
Computed Properties
Molecular Weight:
130.231g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
6
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:
43.8
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:
Warning
UN#:
-
Hazard Statements:
H227-H319-H402-H412
Precautionary Statements:
P210-P264-P273-P280-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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