Octen-3-ol


Chemical Name: Octen-3-ol
CAS Number: 3391-86-4
Product Number: AG003EKY(AGN-PC-0JKEBM)
Synonyms:
MDL No:
Molecular Formula: C8H16O
Molecular Weight: 128.2120

Identification/Properties


Properties
MP:
-49°C
BP:
168.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.437(lit.)
Computed Properties
Molecular Weight:
128.215g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
128.12g/mol
Monoisotopic Mass:
128.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
69
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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