1,2-Octanediol


Chemical Name: 1,2-Octanediol
CAS Number: 1117-86-8
Product Number: AG003DFF(AGN-PC-050WRL)
Synonyms:
MDL No:
Molecular Formula: C8H18O2
Molecular Weight: 146.2273

Identification/Properties


Properties
MP:
36-38 °C(lit.)
BP:
243°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4505 (estimate)
Solubility:
3 g/L (20°C)
Computed Properties
Molecular Weight:
146.23g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
146.131g/mol
Monoisotopic Mass:
146.131g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
64.3
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:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P280-P305+P351+P338-P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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