1,3-Octanediol


Chemical Name: 1,3-Octanediol
CAS Number: 23433-05-8
Product Number: AG002N7W(AGN-PC-0JCWCA)
Synonyms:
MDL No:
Molecular Formula: C8H18O2
Molecular Weight: 146.2273

Identification/Properties


Properties
MP:
68-69℃
BP:
165-170℃ (25 Torr)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.4554 (589.3 nm 20℃)
Computed Properties
Molecular Weight:
146.23g/mol
XLogP3:
1.6
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#:
-
Hazard Statements:
H319-H412
Precautionary Statements:
P273-P280-P305+P351+P338-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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